----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:24:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.524920730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.002486980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.098010870000000 Atomic positions (fractional): *1 Li 0.92649632650559 0.75000000000000 0.53976029282799 6.941 2 Li 0.57350367349441 0.25000000000000 0.03976029282799 6.941 3 Li 0.07350367349441 0.25000000000000 0.46023970717201 6.941 4 Li 0.42649632650559 0.75000000000000 0.96023970717201 6.941 *5 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 6 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 7 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 8 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 *9 O 0.89763932488263 0.75000000000000 0.17541651204405 15.999 *10 O 0.41427630327792 0.25000000000000 0.22514498832216 15.999 11 O 0.91427630327792 0.25000000000000 0.27485501167784 15.999 12 O 0.08572369672208 0.75000000000000 0.72514498832216 15.999 *13 O 0.16500711617536 0.01345216760001 0.26928006865776 15.999 14 O 0.33499288382464 0.98654783239999 0.76928006865776 15.999 15 O 0.83499288382464 0.51345216760001 0.73071993134224 15.999 16 O 0.66500711617536 0.48654783239999 0.23071993134224 15.999 17 O 0.83499288382464 0.98654783239999 0.73071993134224 15.999 18 O 0.66500711617536 0.01345216760001 0.23071993134224 15.999 19 O 0.16500711617536 0.48654783239999 0.26928006865776 15.999 20 O 0.33499288382464 0.51345216760001 0.76928006865776 15.999 21 O 0.10236067511737 0.25000000000000 0.82458348795595 15.999 22 O 0.39763932488263 0.75000000000000 0.32458348795595 15.999 23 O 0.58572369672208 0.75000000000000 0.77485501167784 15.999 24 O 0.60236067511737 0.25000000000000 0.67541651204405 15.999 *25 U 0.73821632162533 0.75000000000000 0.98364318811506 238.029 26 U 0.76178367837467 0.25000000000000 0.48364318811506 238.029 27 U 0.26178367837467 0.25000000000000 0.01635681188494 238.029 28 U 0.23821632162533 0.75000000000000 0.51635681188494 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.524920730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.002486980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.098010870000000 Atomic positions (fractional): *1 Li 0.92649632650559 0.75000000000000 0.53976029282799 6.941 > 1 2 Li 0.57350367349441 0.25000000000000 0.03976029282799 6.941 > 2 3 Li 0.07350367349441 0.25000000000000 0.46023970717201 6.941 > 3 4 Li 0.42649632650559 0.75000000000000 0.96023970717201 6.941 > 4 *5 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 5 6 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 6 7 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 7 8 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 8 *9 O 0.89763932488263 0.75000000000000 0.17541651204405 15.999 > 9 *10 O 0.41427630327792 0.25000000000000 0.22514498832216 15.999 > 10 11 O 0.91427630327792 0.25000000000000 0.27485501167784 15.999 > 11 12 O 0.08572369672208 0.75000000000000 0.72514498832216 15.999 > 12 *13 O 0.16500711617536 0.01345216760001 0.26928006865776 15.999 > 13 14 O 0.33499288382464 0.98654783239999 0.76928006865776 15.999 > 14 15 O 0.83499288382464 0.51345216760001 0.73071993134224 15.999 > 15 16 O 0.66500711617536 0.48654783239999 0.23071993134224 15.999 > 16 17 O 0.83499288382464 0.98654783239999 0.73071993134224 15.999 > 17 18 O 0.66500711617536 0.01345216760001 0.23071993134224 15.999 > 18 19 O 0.16500711617536 0.48654783239999 0.26928006865776 15.999 > 19 20 O 0.33499288382464 0.51345216760001 0.76928006865776 15.999 > 20 21 O 0.10236067511737 0.25000000000000 0.82458348795595 15.999 > 21 22 O 0.39763932488263 0.75000000000000 0.32458348795595 15.999 > 22 23 O 0.58572369672208 0.75000000000000 0.77485501167784 15.999 > 23 24 O 0.60236067511737 0.25000000000000 0.67541651204405 15.999 > 24 *25 U 0.73821632162533 0.75000000000000 0.98364318811506 238.029 > 25 26 U 0.76178367837467 0.25000000000000 0.48364318811506 238.029 > 26 27 U 0.26178367837467 0.25000000000000 0.01635681188494 238.029 > 27 28 U 0.23821632162533 0.75000000000000 0.51635681188494 238.029 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.524920730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.004973959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.196021740000001 Atomic positions (fractional): *1 Li 0.92649632650559 0.37500000000000 0.26988014641399 6.941 > 1 2 Li 0.92649632650559 0.87500000000000 0.26988014641399 6.941 > 1 3 Li 0.92649632650559 0.37500000000000 0.76988014641399 6.941 > 1 4 Li 0.92649632650559 0.87500000000000 0.76988014641399 6.941 > 1 5 Li 0.57350367349441 0.12500000000000 0.01988014641399 6.941 > 2 6 Li 0.57350367349441 0.62500000000000 0.01988014641399 6.941 > 2 7 Li 0.57350367349441 0.12500000000000 0.51988014641399 6.941 > 2 8 Li 0.57350367349441 0.62500000000000 0.51988014641399 6.941 > 2 9 Li 0.07350367349441 0.12500000000000 0.23011985358601 6.941 > 3 10 Li 0.07350367349441 0.62500000000000 0.23011985358601 6.941 > 3 11 Li 0.07350367349441 0.12500000000000 0.73011985358601 6.941 > 3 12 Li 0.07350367349441 0.62500000000000 0.73011985358601 6.941 > 3 13 Li 0.42649632650559 0.37500000000000 0.48011985358601 6.941 > 4 14 Li 0.42649632650559 0.87500000000000 0.48011985358601 6.941 > 4 15 Li 0.42649632650559 0.37500000000000 0.98011985358601 6.941 > 4 16 Li 0.42649632650559 0.87500000000000 0.98011985358601 6.941 > 4 *17 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 5 18 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 5 19 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 5 20 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 5 21 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 6 22 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 6 23 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 6 24 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 6 25 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 7 26 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 7 27 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 7 28 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 7 29 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 8 30 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 8 31 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 8 32 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 8 *33 O 0.89763932488263 0.37500000000000 0.08770825602202 15.999 > 9 34 O 0.89763932488263 0.87500000000000 0.08770825602202 15.999 > 9 35 O 0.89763932488263 0.37500000000000 0.58770825602202 15.999 > 9 36 O 0.89763932488263 0.87500000000000 0.58770825602202 15.999 > 9 *37 O 0.41427630327792 0.12500000000000 0.11257249416108 15.999 > 10 38 O 0.41427630327792 0.62500000000000 0.11257249416108 15.999 > 10 39 O 0.41427630327792 0.12500000000000 0.61257249416108 15.999 > 10 40 O 0.41427630327792 0.62500000000000 0.61257249416108 15.999 > 10 41 O 0.91427630327792 0.12500000000000 0.13742750583892 15.999 > 11 42 O 0.91427630327792 0.62500000000000 0.13742750583892 15.999 > 11 43 O 0.91427630327792 0.12500000000000 0.63742750583892 15.999 > 11 44 O 0.91427630327792 0.62500000000000 0.63742750583892 15.999 > 11 45 O 0.08572369672208 0.37500000000000 0.36257249416108 15.999 > 12 46 O 0.08572369672208 0.87500000000000 0.36257249416108 15.999 > 12 47 O 0.08572369672208 0.37500000000000 0.86257249416108 15.999 > 12 48 O 0.08572369672208 0.87500000000000 0.86257249416108 15.999 > 12 *49 O 0.16500711617536 0.00672608380001 0.13464003432888 15.999 > 13 50 O 0.16500711617536 0.50672608380001 0.13464003432888 15.999 > 13 51 O 0.16500711617536 0.00672608380001 0.63464003432888 15.999 > 13 52 O 0.16500711617536 0.50672608380001 0.63464003432888 15.999 > 13 53 O 0.33499288382464 0.49327391619999 0.38464003432888 15.999 > 14 54 O 0.33499288382464 0.99327391619999 0.38464003432888 15.999 > 14 55 O 0.33499288382464 0.49327391619999 0.88464003432888 15.999 > 14 56 O 0.33499288382464 0.99327391619999 0.88464003432888 15.999 > 14 57 O 0.83499288382464 0.25672608380001 0.36535996567112 15.999 > 15 58 O 0.83499288382464 0.75672608380001 0.36535996567112 15.999 > 15 59 O 0.83499288382464 0.25672608380001 0.86535996567112 15.999 > 15 60 O 0.83499288382464 0.75672608380001 0.86535996567112 15.999 > 15 61 O 0.66500711617536 0.24327391619999 0.11535996567112 15.999 > 16 62 O 0.66500711617536 0.74327391619999 0.11535996567112 15.999 > 16 63 O 0.66500711617536 0.24327391619999 0.61535996567112 15.999 > 16 64 O 0.66500711617536 0.74327391619999 0.61535996567112 15.999 > 16 65 O 0.83499288382464 0.49327391619999 0.36535996567112 15.999 > 17 66 O 0.83499288382464 0.99327391619999 0.36535996567112 15.999 > 17 67 O 0.83499288382464 0.49327391619999 0.86535996567112 15.999 > 17 68 O 0.83499288382464 0.99327391619999 0.86535996567112 15.999 > 17 69 O 0.66500711617536 0.00672608380001 0.11535996567112 15.999 > 18 70 O 0.66500711617536 0.50672608380001 0.11535996567112 15.999 > 18 71 O 0.66500711617536 0.00672608380001 0.61535996567112 15.999 > 18 72 O 0.66500711617536 0.50672608380001 0.61535996567112 15.999 > 18 73 O 0.16500711617536 0.24327391619999 0.13464003432888 15.999 > 19 74 O 0.16500711617536 0.74327391619999 0.13464003432888 15.999 > 19 75 O 0.16500711617536 0.24327391619999 0.63464003432888 15.999 > 19 76 O 0.16500711617536 0.74327391619999 0.63464003432888 15.999 > 19 77 O 0.33499288382464 0.25672608380001 0.38464003432888 15.999 > 20 78 O 0.33499288382464 0.75672608380001 0.38464003432888 15.999 > 20 79 O 0.33499288382464 0.25672608380001 0.88464003432888 15.999 > 20 80 O 0.33499288382464 0.75672608380001 0.88464003432888 15.999 > 20 81 O 0.10236067511737 0.12500000000000 0.41229174397798 15.999 > 21 82 O 0.10236067511737 0.62500000000000 0.41229174397798 15.999 > 21 83 O 0.10236067511737 0.12500000000000 0.91229174397798 15.999 > 21 84 O 0.10236067511737 0.62500000000000 0.91229174397798 15.999 > 21 85 O 0.39763932488263 0.37500000000000 0.16229174397798 15.999 > 22 86 O 0.39763932488263 0.87500000000000 0.16229174397798 15.999 > 22 87 O 0.39763932488263 0.37500000000000 0.66229174397798 15.999 > 22 88 O 0.39763932488263 0.87500000000000 0.66229174397798 15.999 > 22 89 O 0.58572369672208 0.37500000000000 0.38742750583892 15.999 > 23 90 O 0.58572369672208 0.87500000000000 0.38742750583892 15.999 > 23 91 O 0.58572369672208 0.37500000000000 0.88742750583892 15.999 > 23 92 O 0.58572369672208 0.87500000000000 0.88742750583892 15.999 > 23 93 O 0.60236067511737 0.12500000000000 0.33770825602202 15.999 > 24 94 O 0.60236067511737 0.62500000000000 0.33770825602202 15.999 > 24 95 O 0.60236067511737 0.12500000000000 0.83770825602202 15.999 > 24 96 O 0.60236067511737 0.62500000000000 0.83770825602202 15.999 > 24 *97 U 0.73821632162533 0.37500000000000 0.49182159405753 238.029 > 25 98 U 0.73821632162533 0.87500000000000 0.49182159405753 238.029 > 25 99 U 0.73821632162533 0.37500000000000 0.99182159405753 238.029 > 25 100 U 0.73821632162533 0.87500000000000 0.99182159405753 238.029 > 25 101 U 0.76178367837467 0.12500000000000 0.24182159405753 238.029 > 26 102 U 0.76178367837467 0.62500000000000 0.24182159405753 238.029 > 26 103 U 0.76178367837467 0.12500000000000 0.74182159405753 238.029 > 26 104 U 0.76178367837467 0.62500000000000 0.74182159405753 238.029 > 26 105 U 0.26178367837467 0.12500000000000 0.00817840594247 238.029 > 27 106 U 0.26178367837467 0.62500000000000 0.00817840594247 238.029 > 27 107 U 0.26178367837467 0.12500000000000 0.50817840594247 238.029 > 27 108 U 0.26178367837467 0.62500000000000 0.50817840594247 238.029 > 27 109 U 0.23821632162533 0.37500000000000 0.25817840594247 238.029 > 28 110 U 0.23821632162533 0.87500000000000 0.25817840594247 238.029 > 28 111 U 0.23821632162533 0.37500000000000 0.75817840594247 238.029 > 28 112 U 0.23821632162533 0.87500000000000 0.75817840594247 238.029 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8996489 0.0000000 0.0000000 0.0000000 5.2074888 0.0000000 0.0000000 0.0000000 4.8314408 -------------------------- Born effective charges -------------------------- 1 Li 1.3674151 0.0000000 0.2152999 0.0000000 0.9533799 0.0000000 -0.0628037 0.0000000 1.0218844 2 Li 1.3674151 0.0000000 -0.2152999 0.0000000 0.9533799 0.0000000 0.0628037 0.0000000 1.0218844 3 Li 1.3674151 0.0000000 0.2152999 0.0000000 0.9533799 0.0000000 -0.0628037 0.0000000 1.0218844 4 Li 1.3674151 0.0000000 -0.2152999 0.0000000 0.9533799 0.0000000 0.0628037 0.0000000 1.0218844 5 Li 1.6627451 0.0870089 0.2799260 0.0181114 1.0133134 -0.0281582 -0.0932870 -0.4257539 1.0620445 6 Li 1.6627451 0.0870089 -0.2799260 0.0181114 1.0133134 0.0281582 0.0932870 0.4257539 1.0620445 7 Li 1.6627451 -0.0870089 0.2799260 -0.0181114 1.0133134 0.0281582 -0.0932870 0.4257539 1.0620445 8 Li 1.6627451 -0.0870089 -0.2799260 -0.0181114 1.0133134 -0.0281582 0.0932870 -0.4257539 1.0620445 9 O -2.3775511 0.0000000 -0.7158135 0.0000000 -1.1225854 0.0000000 -0.8083640 0.0000000 -1.6467578 10 O -2.6026621 0.0000000 -0.9609551 0.0000000 -1.0471011 0.0000000 -0.8106518 0.0000000 -1.5288211 11 O -2.6026621 0.0000000 0.9609551 0.0000000 -1.0471011 0.0000000 0.8106518 0.0000000 -1.5288211 12 O -2.6026621 0.0000000 0.9609551 0.0000000 -1.0471011 0.0000000 0.8106518 0.0000000 -1.5288211 13 O -1.2568161 -0.0056884 0.0554504 -0.0636014 -3.3296381 1.9807776 0.1481218 1.8960316 -2.6195144 14 O -1.2568161 -0.0056884 -0.0554504 -0.0636014 -3.3296381 -1.9807776 -0.1481218 -1.8960316 -2.6195144 15 O -1.2568161 0.0056884 0.0554504 0.0636014 -3.3296381 -1.9807776 0.1481218 -1.8960316 -2.6195144 16 O -1.2568161 0.0056884 -0.0554504 0.0636014 -3.3296381 1.9807776 -0.1481218 1.8960316 -2.6195144 17 O -1.2568161 -0.0056884 0.0554504 -0.0636014 -3.3296381 1.9807776 0.1481218 1.8960316 -2.6195144 18 O -1.2568161 -0.0056884 -0.0554504 -0.0636014 -3.3296381 -1.9807776 -0.1481218 -1.8960316 -2.6195144 19 O -1.2568161 0.0056884 0.0554504 0.0636014 -3.3296381 -1.9807776 0.1481218 -1.8960316 -2.6195144 20 O -1.2568161 0.0056884 -0.0554504 0.0636014 -3.3296381 1.9807776 -0.1481218 1.8960316 -2.6195144 21 O -2.3775511 0.0000000 -0.7158135 0.0000000 -1.1225854 0.0000000 -0.8083640 0.0000000 -1.6467578 22 O -2.3775511 0.0000000 0.7158135 0.0000000 -1.1225854 0.0000000 0.8083640 0.0000000 -1.6467578 23 O -2.6026621 0.0000000 -0.9609551 0.0000000 -1.0471011 0.0000000 -0.8106518 0.0000000 -1.5288211 24 O -2.3775511 0.0000000 0.7158135 0.0000000 -1.1225854 0.0000000 0.8083640 0.0000000 -1.6467578 25 U 4.4636853 0.0000000 0.5722167 0.0000000 6.8622693 0.0000000 -1.0422541 0.0000000 6.3306788 26 U 4.4636853 0.0000000 -0.5722167 0.0000000 6.8622693 0.0000000 1.0422541 0.0000000 6.3306788 27 U 4.4636853 0.0000000 0.5722167 0.0000000 6.8622693 0.0000000 -1.0422541 0.0000000 6.3306788 28 U 4.4636853 0.0000000 -0.5722167 0.0000000 6.8622693 0.0000000 1.0422541 0.0000000 6.3306788 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.204 Solver_block: 200 / 480 - Time: 3.130 Solver_block: 300 / 480 - Time: 3.136 Solver_block: 400 / 480 - Time: 3.076 Solver_block: 480 / 480 - Time: 2.503 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.107 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:24:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:24:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.524920730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.002486980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.098010870000000 Atomic positions (fractional): 1 Li 0.92649632650559 0.75000000000000 0.53976029282799 6.941 2 Li 0.57350367349441 0.25000000000000 0.03976029282799 6.941 3 Li 0.07350367349441 0.25000000000000 0.46023970717201 6.941 4 Li 0.42649632650559 0.75000000000000 0.96023970717201 6.941 5 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 6 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 7 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 8 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 9 O 0.89763932488263 0.75000000000000 0.17541651204405 15.999 10 O 0.41427630327792 0.25000000000000 0.22514498832216 15.999 11 O 0.91427630327792 0.25000000000000 0.27485501167784 15.999 12 O 0.08572369672208 0.75000000000000 0.72514498832216 15.999 13 O 0.16500711617536 0.01345216760001 0.26928006865776 15.999 14 O 0.33499288382464 0.98654783239999 0.76928006865776 15.999 15 O 0.83499288382464 0.51345216760001 0.73071993134224 15.999 16 O 0.66500711617536 0.48654783239999 0.23071993134224 15.999 17 O 0.83499288382464 0.98654783239999 0.73071993134224 15.999 18 O 0.66500711617536 0.01345216760001 0.23071993134224 15.999 19 O 0.16500711617536 0.48654783239999 0.26928006865776 15.999 20 O 0.33499288382464 0.51345216760001 0.76928006865776 15.999 21 O 0.10236067511737 0.25000000000000 0.82458348795595 15.999 22 O 0.39763932488263 0.75000000000000 0.32458348795595 15.999 23 O 0.58572369672208 0.75000000000000 0.77485501167784 15.999 24 O 0.60236067511737 0.25000000000000 0.67541651204405 15.999 25 U 0.73821632162533 0.75000000000000 0.98364318811506 238.029 26 U 0.76178367837467 0.25000000000000 0.48364318811506 238.029 27 U 0.26178367837467 0.25000000000000 0.01635681188494 238.029 28 U 0.23821632162533 0.75000000000000 0.51635681188494 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.524920730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.004973959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.196021740000001 Atomic positions (fractional): 1 Li 0.92649632650559 0.37500000000000 0.26988014641399 6.941 > 1 2 Li 0.92649632650559 0.87500000000000 0.26988014641399 6.941 > 1 3 Li 0.92649632650559 0.37500000000000 0.76988014641399 6.941 > 1 4 Li 0.92649632650559 0.87500000000000 0.76988014641399 6.941 > 1 5 Li 0.57350367349441 0.12500000000000 0.01988014641399 6.941 > 5 6 Li 0.57350367349441 0.62500000000000 0.01988014641399 6.941 > 5 7 Li 0.57350367349441 0.12500000000000 0.51988014641399 6.941 > 5 8 Li 0.57350367349441 0.62500000000000 0.51988014641399 6.941 > 5 9 Li 0.07350367349441 0.12500000000000 0.23011985358601 6.941 > 9 10 Li 0.07350367349441 0.62500000000000 0.23011985358601 6.941 > 9 11 Li 0.07350367349441 0.12500000000000 0.73011985358601 6.941 > 9 12 Li 0.07350367349441 0.62500000000000 0.73011985358601 6.941 > 9 13 Li 0.42649632650559 0.37500000000000 0.48011985358601 6.941 > 13 14 Li 0.42649632650559 0.87500000000000 0.48011985358601 6.941 > 13 15 Li 0.42649632650559 0.37500000000000 0.98011985358601 6.941 > 13 16 Li 0.42649632650559 0.87500000000000 0.98011985358601 6.941 > 13 17 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 17 18 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 17 19 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 17 20 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 17 21 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 21 22 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 21 23 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 21 24 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 21 25 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 25 26 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 25 27 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 25 28 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 25 29 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 29 30 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 29 31 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 29 32 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 29 33 O 0.89763932488263 0.37500000000000 0.08770825602202 15.999 > 33 34 O 0.89763932488263 0.87500000000000 0.08770825602202 15.999 > 33 35 O 0.89763932488263 0.37500000000000 0.58770825602202 15.999 > 33 36 O 0.89763932488263 0.87500000000000 0.58770825602202 15.999 > 33 37 O 0.41427630327792 0.12500000000000 0.11257249416108 15.999 > 37 38 O 0.41427630327792 0.62500000000000 0.11257249416108 15.999 > 37 39 O 0.41427630327792 0.12500000000000 0.61257249416108 15.999 > 37 40 O 0.41427630327792 0.62500000000000 0.61257249416108 15.999 > 37 41 O 0.91427630327792 0.12500000000000 0.13742750583892 15.999 > 41 42 O 0.91427630327792 0.62500000000000 0.13742750583892 15.999 > 41 43 O 0.91427630327792 0.12500000000000 0.63742750583892 15.999 > 41 44 O 0.91427630327792 0.62500000000000 0.63742750583892 15.999 > 41 45 O 0.08572369672208 0.37500000000000 0.36257249416108 15.999 > 45 46 O 0.08572369672208 0.87500000000000 0.36257249416108 15.999 > 45 47 O 0.08572369672208 0.37500000000000 0.86257249416108 15.999 > 45 48 O 0.08572369672208 0.87500000000000 0.86257249416108 15.999 > 45 49 O 0.16500711617536 0.00672608380001 0.13464003432888 15.999 > 49 50 O 0.16500711617536 0.50672608380001 0.13464003432888 15.999 > 49 51 O 0.16500711617536 0.00672608380001 0.63464003432888 15.999 > 49 52 O 0.16500711617536 0.50672608380001 0.63464003432888 15.999 > 49 53 O 0.33499288382464 0.49327391619999 0.38464003432888 15.999 > 53 54 O 0.33499288382464 0.99327391619999 0.38464003432888 15.999 > 53 55 O 0.33499288382464 0.49327391619999 0.88464003432888 15.999 > 53 56 O 0.33499288382464 0.99327391619999 0.88464003432888 15.999 > 53 57 O 0.83499288382464 0.25672608380001 0.36535996567112 15.999 > 57 58 O 0.83499288382464 0.75672608380001 0.36535996567112 15.999 > 57 59 O 0.83499288382464 0.25672608380001 0.86535996567112 15.999 > 57 60 O 0.83499288382464 0.75672608380001 0.86535996567112 15.999 > 57 61 O 0.66500711617536 0.24327391619999 0.11535996567112 15.999 > 61 62 O 0.66500711617536 0.74327391619999 0.11535996567112 15.999 > 61 63 O 0.66500711617536 0.24327391619999 0.61535996567112 15.999 > 61 64 O 0.66500711617536 0.74327391619999 0.61535996567112 15.999 > 61 65 O 0.83499288382464 0.49327391619999 0.36535996567112 15.999 > 65 66 O 0.83499288382464 0.99327391619999 0.36535996567112 15.999 > 65 67 O 0.83499288382464 0.49327391619999 0.86535996567112 15.999 > 65 68 O 0.83499288382464 0.99327391619999 0.86535996567112 15.999 > 65 69 O 0.66500711617536 0.00672608380001 0.11535996567112 15.999 > 69 70 O 0.66500711617536 0.50672608380001 0.11535996567112 15.999 > 69 71 O 0.66500711617536 0.00672608380001 0.61535996567112 15.999 > 69 72 O 0.66500711617536 0.50672608380001 0.61535996567112 15.999 > 69 73 O 0.16500711617536 0.24327391619999 0.13464003432888 15.999 > 73 74 O 0.16500711617536 0.74327391619999 0.13464003432888 15.999 > 73 75 O 0.16500711617536 0.24327391619999 0.63464003432888 15.999 > 73 76 O 0.16500711617536 0.74327391619999 0.63464003432888 15.999 > 73 77 O 0.33499288382464 0.25672608380001 0.38464003432888 15.999 > 77 78 O 0.33499288382464 0.75672608380001 0.38464003432888 15.999 > 77 79 O 0.33499288382464 0.25672608380001 0.88464003432888 15.999 > 77 80 O 0.33499288382464 0.75672608380001 0.88464003432888 15.999 > 77 81 O 0.10236067511737 0.12500000000000 0.41229174397798 15.999 > 81 82 O 0.10236067511737 0.62500000000000 0.41229174397798 15.999 > 81 83 O 0.10236067511737 0.12500000000000 0.91229174397798 15.999 > 81 84 O 0.10236067511737 0.62500000000000 0.91229174397798 15.999 > 81 85 O 0.39763932488263 0.37500000000000 0.16229174397798 15.999 > 85 86 O 0.39763932488263 0.87500000000000 0.16229174397798 15.999 > 85 87 O 0.39763932488263 0.37500000000000 0.66229174397798 15.999 > 85 88 O 0.39763932488263 0.87500000000000 0.66229174397798 15.999 > 85 89 O 0.58572369672208 0.37500000000000 0.38742750583892 15.999 > 89 90 O 0.58572369672208 0.87500000000000 0.38742750583892 15.999 > 89 91 O 0.58572369672208 0.37500000000000 0.88742750583892 15.999 > 89 92 O 0.58572369672208 0.87500000000000 0.88742750583892 15.999 > 89 93 O 0.60236067511737 0.12500000000000 0.33770825602202 15.999 > 93 94 O 0.60236067511737 0.62500000000000 0.33770825602202 15.999 > 93 95 O 0.60236067511737 0.12500000000000 0.83770825602202 15.999 > 93 96 O 0.60236067511737 0.62500000000000 0.83770825602202 15.999 > 93 97 U 0.73821632162533 0.37500000000000 0.49182159405753 238.029 > 97 98 U 0.73821632162533 0.87500000000000 0.49182159405753 238.029 > 97 99 U 0.73821632162533 0.37500000000000 0.99182159405753 238.029 > 97 100 U 0.73821632162533 0.87500000000000 0.99182159405753 238.029 > 97 101 U 0.76178367837467 0.12500000000000 0.24182159405753 238.029 > 101 102 U 0.76178367837467 0.62500000000000 0.24182159405753 238.029 > 101 103 U 0.76178367837467 0.12500000000000 0.74182159405753 238.029 > 101 104 U 0.76178367837467 0.62500000000000 0.74182159405753 238.029 > 101 105 U 0.26178367837467 0.12500000000000 0.00817840594247 238.029 > 105 106 U 0.26178367837467 0.62500000000000 0.00817840594247 238.029 > 105 107 U 0.26178367837467 0.12500000000000 0.50817840594247 238.029 > 105 108 U 0.26178367837467 0.62500000000000 0.50817840594247 238.029 > 105 109 U 0.23821632162533 0.37500000000000 0.25817840594247 238.029 > 109 110 U 0.23821632162533 0.87500000000000 0.25817840594247 238.029 > 109 111 U 0.23821632162533 0.37500000000000 0.75817840594247 238.029 > 109 112 U 0.23821632162533 0.87500000000000 0.75817840594247 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8996489 0.0000000 0.0000000 0.0000000 5.2074888 0.0000000 0.0000000 0.0000000 4.8314408 -------------------------- Born effective charges -------------------------- 1 Li 1.3674151 0.0000000 0.2152999 0.0000000 0.9533799 0.0000000 -0.0628037 0.0000000 1.0218844 2 Li 1.3674151 0.0000000 -0.2152999 0.0000000 0.9533799 0.0000000 0.0628037 0.0000000 1.0218844 3 Li 1.3674151 0.0000000 0.2152999 0.0000000 0.9533799 0.0000000 -0.0628037 0.0000000 1.0218844 4 Li 1.3674151 0.0000000 -0.2152999 0.0000000 0.9533799 0.0000000 0.0628037 0.0000000 1.0218844 5 Li 1.6627451 0.0870089 0.2799260 0.0181114 1.0133134 -0.0281582 -0.0932870 -0.4257539 1.0620445 6 Li 1.6627451 0.0870089 -0.2799260 0.0181114 1.0133134 0.0281582 0.0932870 0.4257539 1.0620445 7 Li 1.6627451 -0.0870089 0.2799260 -0.0181114 1.0133134 0.0281582 -0.0932870 0.4257539 1.0620445 8 Li 1.6627451 -0.0870089 -0.2799260 -0.0181114 1.0133134 -0.0281582 0.0932870 -0.4257539 1.0620445 9 O -2.3775511 0.0000000 -0.7158135 0.0000000 -1.1225854 0.0000000 -0.8083640 0.0000000 -1.6467578 10 O -2.6026621 0.0000000 -0.9609551 0.0000000 -1.0471011 0.0000000 -0.8106518 0.0000000 -1.5288211 11 O -2.6026621 0.0000000 0.9609551 0.0000000 -1.0471011 0.0000000 0.8106518 0.0000000 -1.5288211 12 O -2.6026621 0.0000000 0.9609551 0.0000000 -1.0471011 0.0000000 0.8106518 0.0000000 -1.5288211 13 O -1.2568161 -0.0056884 0.0554504 -0.0636014 -3.3296381 1.9807776 0.1481218 1.8960316 -2.6195144 14 O -1.2568161 -0.0056884 -0.0554504 -0.0636014 -3.3296381 -1.9807776 -0.1481218 -1.8960316 -2.6195144 15 O -1.2568161 0.0056884 0.0554504 0.0636014 -3.3296381 -1.9807776 0.1481218 -1.8960316 -2.6195144 16 O -1.2568161 0.0056884 -0.0554504 0.0636014 -3.3296381 1.9807776 -0.1481218 1.8960316 -2.6195144 17 O -1.2568161 -0.0056884 0.0554504 -0.0636014 -3.3296381 1.9807776 0.1481218 1.8960316 -2.6195144 18 O -1.2568161 -0.0056884 -0.0554504 -0.0636014 -3.3296381 -1.9807776 -0.1481218 -1.8960316 -2.6195144 19 O -1.2568161 0.0056884 0.0554504 0.0636014 -3.3296381 -1.9807776 0.1481218 -1.8960316 -2.6195144 20 O -1.2568161 0.0056884 -0.0554504 0.0636014 -3.3296381 1.9807776 -0.1481218 1.8960316 -2.6195144 21 O -2.3775511 0.0000000 -0.7158135 0.0000000 -1.1225854 0.0000000 -0.8083640 0.0000000 -1.6467578 22 O -2.3775511 0.0000000 0.7158135 0.0000000 -1.1225854 0.0000000 0.8083640 0.0000000 -1.6467578 23 O -2.6026621 0.0000000 -0.9609551 0.0000000 -1.0471011 0.0000000 -0.8106518 0.0000000 -1.5288211 24 O -2.3775511 0.0000000 0.7158135 0.0000000 -1.1225854 0.0000000 0.8083640 0.0000000 -1.6467578 25 U 4.4636853 0.0000000 0.5722167 0.0000000 6.8622693 0.0000000 -1.0422541 0.0000000 6.3306788 26 U 4.4636853 0.0000000 -0.5722167 0.0000000 6.8622693 0.0000000 1.0422541 0.0000000 6.3306788 27 U 4.4636853 0.0000000 0.5722167 0.0000000 6.8622693 0.0000000 -1.0422541 0.0000000 6.3306788 28 U 4.4636853 0.0000000 -0.5722167 0.0000000 6.8622693 0.0000000 1.0422541 0.0000000 6.3306788 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:25:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.524920730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.002486980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.098010870000000 Atomic positions (fractional): 1 Li 0.92649632650559 0.75000000000000 0.53976029282799 6.941 2 Li 0.57350367349441 0.25000000000000 0.03976029282799 6.941 3 Li 0.07350367349441 0.25000000000000 0.46023970717201 6.941 4 Li 0.42649632650559 0.75000000000000 0.96023970717201 6.941 5 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 6 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 7 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 8 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 9 O 0.89763932488263 0.75000000000000 0.17541651204405 15.999 10 O 0.41427630327792 0.25000000000000 0.22514498832216 15.999 11 O 0.91427630327792 0.25000000000000 0.27485501167784 15.999 12 O 0.08572369672208 0.75000000000000 0.72514498832216 15.999 13 O 0.16500711617536 0.01345216760001 0.26928006865776 15.999 14 O 0.33499288382464 0.98654783239999 0.76928006865776 15.999 15 O 0.83499288382464 0.51345216760001 0.73071993134224 15.999 16 O 0.66500711617536 0.48654783239999 0.23071993134224 15.999 17 O 0.83499288382464 0.98654783239999 0.73071993134224 15.999 18 O 0.66500711617536 0.01345216760001 0.23071993134224 15.999 19 O 0.16500711617536 0.48654783239999 0.26928006865776 15.999 20 O 0.33499288382464 0.51345216760001 0.76928006865776 15.999 21 O 0.10236067511737 0.25000000000000 0.82458348795595 15.999 22 O 0.39763932488263 0.75000000000000 0.32458348795595 15.999 23 O 0.58572369672208 0.75000000000000 0.77485501167784 15.999 24 O 0.60236067511737 0.25000000000000 0.67541651204405 15.999 25 U 0.73821632162533 0.75000000000000 0.98364318811506 238.029 26 U 0.76178367837467 0.25000000000000 0.48364318811506 238.029 27 U 0.26178367837467 0.25000000000000 0.01635681188494 238.029 28 U 0.23821632162533 0.75000000000000 0.51635681188494 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.524920730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.004973959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.196021740000001 Atomic positions (fractional): 1 Li 0.92649632650559 0.37500000000000 0.26988014641399 6.941 > 1 2 Li 0.92649632650559 0.87500000000000 0.26988014641399 6.941 > 1 3 Li 0.92649632650559 0.37500000000000 0.76988014641399 6.941 > 1 4 Li 0.92649632650559 0.87500000000000 0.76988014641399 6.941 > 1 5 Li 0.57350367349441 0.12500000000000 0.01988014641399 6.941 > 5 6 Li 0.57350367349441 0.62500000000000 0.01988014641399 6.941 > 5 7 Li 0.57350367349441 0.12500000000000 0.51988014641399 6.941 > 5 8 Li 0.57350367349441 0.62500000000000 0.51988014641399 6.941 > 5 9 Li 0.07350367349441 0.12500000000000 0.23011985358601 6.941 > 9 10 Li 0.07350367349441 0.62500000000000 0.23011985358601 6.941 > 9 11 Li 0.07350367349441 0.12500000000000 0.73011985358601 6.941 > 9 12 Li 0.07350367349441 0.62500000000000 0.73011985358601 6.941 > 9 13 Li 0.42649632650559 0.37500000000000 0.48011985358601 6.941 > 13 14 Li 0.42649632650559 0.87500000000000 0.48011985358601 6.941 > 13 15 Li 0.42649632650559 0.37500000000000 0.98011985358601 6.941 > 13 16 Li 0.42649632650559 0.87500000000000 0.98011985358601 6.941 > 13 17 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 17 18 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 17 19 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 17 20 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 17 21 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 21 22 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 21 23 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 21 24 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 21 25 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 25 26 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 25 27 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 25 28 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 25 29 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 29 30 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 29 31 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 29 32 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 29 33 O 0.89763932488263 0.37500000000000 0.08770825602202 15.999 > 33 34 O 0.89763932488263 0.87500000000000 0.08770825602202 15.999 > 33 35 O 0.89763932488263 0.37500000000000 0.58770825602202 15.999 > 33 36 O 0.89763932488263 0.87500000000000 0.58770825602202 15.999 > 33 37 O 0.41427630327792 0.12500000000000 0.11257249416108 15.999 > 37 38 O 0.41427630327792 0.62500000000000 0.11257249416108 15.999 > 37 39 O 0.41427630327792 0.12500000000000 0.61257249416108 15.999 > 37 40 O 0.41427630327792 0.62500000000000 0.61257249416108 15.999 > 37 41 O 0.91427630327792 0.12500000000000 0.13742750583892 15.999 > 41 42 O 0.91427630327792 0.62500000000000 0.13742750583892 15.999 > 41 43 O 0.91427630327792 0.12500000000000 0.63742750583892 15.999 > 41 44 O 0.91427630327792 0.62500000000000 0.63742750583892 15.999 > 41 45 O 0.08572369672208 0.37500000000000 0.36257249416108 15.999 > 45 46 O 0.08572369672208 0.87500000000000 0.36257249416108 15.999 > 45 47 O 0.08572369672208 0.37500000000000 0.86257249416108 15.999 > 45 48 O 0.08572369672208 0.87500000000000 0.86257249416108 15.999 > 45 49 O 0.16500711617536 0.00672608380001 0.13464003432888 15.999 > 49 50 O 0.16500711617536 0.50672608380001 0.13464003432888 15.999 > 49 51 O 0.16500711617536 0.00672608380001 0.63464003432888 15.999 > 49 52 O 0.16500711617536 0.50672608380001 0.63464003432888 15.999 > 49 53 O 0.33499288382464 0.49327391619999 0.38464003432888 15.999 > 53 54 O 0.33499288382464 0.99327391619999 0.38464003432888 15.999 > 53 55 O 0.33499288382464 0.49327391619999 0.88464003432888 15.999 > 53 56 O 0.33499288382464 0.99327391619999 0.88464003432888 15.999 > 53 57 O 0.83499288382464 0.25672608380001 0.36535996567112 15.999 > 57 58 O 0.83499288382464 0.75672608380001 0.36535996567112 15.999 > 57 59 O 0.83499288382464 0.25672608380001 0.86535996567112 15.999 > 57 60 O 0.83499288382464 0.75672608380001 0.86535996567112 15.999 > 57 61 O 0.66500711617536 0.24327391619999 0.11535996567112 15.999 > 61 62 O 0.66500711617536 0.74327391619999 0.11535996567112 15.999 > 61 63 O 0.66500711617536 0.24327391619999 0.61535996567112 15.999 > 61 64 O 0.66500711617536 0.74327391619999 0.61535996567112 15.999 > 61 65 O 0.83499288382464 0.49327391619999 0.36535996567112 15.999 > 65 66 O 0.83499288382464 0.99327391619999 0.36535996567112 15.999 > 65 67 O 0.83499288382464 0.49327391619999 0.86535996567112 15.999 > 65 68 O 0.83499288382464 0.99327391619999 0.86535996567112 15.999 > 65 69 O 0.66500711617536 0.00672608380001 0.11535996567112 15.999 > 69 70 O 0.66500711617536 0.50672608380001 0.11535996567112 15.999 > 69 71 O 0.66500711617536 0.00672608380001 0.61535996567112 15.999 > 69 72 O 0.66500711617536 0.50672608380001 0.61535996567112 15.999 > 69 73 O 0.16500711617536 0.24327391619999 0.13464003432888 15.999 > 73 74 O 0.16500711617536 0.74327391619999 0.13464003432888 15.999 > 73 75 O 0.16500711617536 0.24327391619999 0.63464003432888 15.999 > 73 76 O 0.16500711617536 0.74327391619999 0.63464003432888 15.999 > 73 77 O 0.33499288382464 0.25672608380001 0.38464003432888 15.999 > 77 78 O 0.33499288382464 0.75672608380001 0.38464003432888 15.999 > 77 79 O 0.33499288382464 0.25672608380001 0.88464003432888 15.999 > 77 80 O 0.33499288382464 0.75672608380001 0.88464003432888 15.999 > 77 81 O 0.10236067511737 0.12500000000000 0.41229174397798 15.999 > 81 82 O 0.10236067511737 0.62500000000000 0.41229174397798 15.999 > 81 83 O 0.10236067511737 0.12500000000000 0.91229174397798 15.999 > 81 84 O 0.10236067511737 0.62500000000000 0.91229174397798 15.999 > 81 85 O 0.39763932488263 0.37500000000000 0.16229174397798 15.999 > 85 86 O 0.39763932488263 0.87500000000000 0.16229174397798 15.999 > 85 87 O 0.39763932488263 0.37500000000000 0.66229174397798 15.999 > 85 88 O 0.39763932488263 0.87500000000000 0.66229174397798 15.999 > 85 89 O 0.58572369672208 0.37500000000000 0.38742750583892 15.999 > 89 90 O 0.58572369672208 0.87500000000000 0.38742750583892 15.999 > 89 91 O 0.58572369672208 0.37500000000000 0.88742750583892 15.999 > 89 92 O 0.58572369672208 0.87500000000000 0.88742750583892 15.999 > 89 93 O 0.60236067511737 0.12500000000000 0.33770825602202 15.999 > 93 94 O 0.60236067511737 0.62500000000000 0.33770825602202 15.999 > 93 95 O 0.60236067511737 0.12500000000000 0.83770825602202 15.999 > 93 96 O 0.60236067511737 0.62500000000000 0.83770825602202 15.999 > 93 97 U 0.73821632162533 0.37500000000000 0.49182159405753 238.029 > 97 98 U 0.73821632162533 0.87500000000000 0.49182159405753 238.029 > 97 99 U 0.73821632162533 0.37500000000000 0.99182159405753 238.029 > 97 100 U 0.73821632162533 0.87500000000000 0.99182159405753 238.029 > 97 101 U 0.76178367837467 0.12500000000000 0.24182159405753 238.029 > 101 102 U 0.76178367837467 0.62500000000000 0.24182159405753 238.029 > 101 103 U 0.76178367837467 0.12500000000000 0.74182159405753 238.029 > 101 104 U 0.76178367837467 0.62500000000000 0.74182159405753 238.029 > 101 105 U 0.26178367837467 0.12500000000000 0.00817840594247 238.029 > 105 106 U 0.26178367837467 0.62500000000000 0.00817840594247 238.029 > 105 107 U 0.26178367837467 0.12500000000000 0.50817840594247 238.029 > 105 108 U 0.26178367837467 0.62500000000000 0.50817840594247 238.029 > 105 109 U 0.23821632162533 0.37500000000000 0.25817840594247 238.029 > 109 110 U 0.23821632162533 0.87500000000000 0.25817840594247 238.029 > 109 111 U 0.23821632162533 0.37500000000000 0.75817840594247 238.029 > 109 112 U 0.23821632162533 0.87500000000000 0.75817840594247 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8996489 0.0000000 0.0000000 0.0000000 5.2074888 0.0000000 0.0000000 0.0000000 4.8314408 -------------------------- Born effective charges -------------------------- 1 Li 1.3674151 0.0000000 0.2152999 0.0000000 0.9533799 0.0000000 -0.0628037 0.0000000 1.0218844 2 Li 1.3674151 0.0000000 -0.2152999 0.0000000 0.9533799 0.0000000 0.0628037 0.0000000 1.0218844 3 Li 1.3674151 0.0000000 0.2152999 0.0000000 0.9533799 0.0000000 -0.0628037 0.0000000 1.0218844 4 Li 1.3674151 0.0000000 -0.2152999 0.0000000 0.9533799 0.0000000 0.0628037 0.0000000 1.0218844 5 Li 1.6627451 0.0870089 0.2799260 0.0181114 1.0133134 -0.0281582 -0.0932870 -0.4257539 1.0620445 6 Li 1.6627451 0.0870089 -0.2799260 0.0181114 1.0133134 0.0281582 0.0932870 0.4257539 1.0620445 7 Li 1.6627451 -0.0870089 0.2799260 -0.0181114 1.0133134 0.0281582 -0.0932870 0.4257539 1.0620445 8 Li 1.6627451 -0.0870089 -0.2799260 -0.0181114 1.0133134 -0.0281582 0.0932870 -0.4257539 1.0620445 9 O -2.3775511 0.0000000 -0.7158135 0.0000000 -1.1225854 0.0000000 -0.8083640 0.0000000 -1.6467578 10 O -2.6026621 0.0000000 -0.9609551 0.0000000 -1.0471011 0.0000000 -0.8106518 0.0000000 -1.5288211 11 O -2.6026621 0.0000000 0.9609551 0.0000000 -1.0471011 0.0000000 0.8106518 0.0000000 -1.5288211 12 O -2.6026621 0.0000000 0.9609551 0.0000000 -1.0471011 0.0000000 0.8106518 0.0000000 -1.5288211 13 O -1.2568161 -0.0056884 0.0554504 -0.0636014 -3.3296381 1.9807776 0.1481218 1.8960316 -2.6195144 14 O -1.2568161 -0.0056884 -0.0554504 -0.0636014 -3.3296381 -1.9807776 -0.1481218 -1.8960316 -2.6195144 15 O -1.2568161 0.0056884 0.0554504 0.0636014 -3.3296381 -1.9807776 0.1481218 -1.8960316 -2.6195144 16 O -1.2568161 0.0056884 -0.0554504 0.0636014 -3.3296381 1.9807776 -0.1481218 1.8960316 -2.6195144 17 O -1.2568161 -0.0056884 0.0554504 -0.0636014 -3.3296381 1.9807776 0.1481218 1.8960316 -2.6195144 18 O -1.2568161 -0.0056884 -0.0554504 -0.0636014 -3.3296381 -1.9807776 -0.1481218 -1.8960316 -2.6195144 19 O -1.2568161 0.0056884 0.0554504 0.0636014 -3.3296381 -1.9807776 0.1481218 -1.8960316 -2.6195144 20 O -1.2568161 0.0056884 -0.0554504 0.0636014 -3.3296381 1.9807776 -0.1481218 1.8960316 -2.6195144 21 O -2.3775511 0.0000000 -0.7158135 0.0000000 -1.1225854 0.0000000 -0.8083640 0.0000000 -1.6467578 22 O -2.3775511 0.0000000 0.7158135 0.0000000 -1.1225854 0.0000000 0.8083640 0.0000000 -1.6467578 23 O -2.6026621 0.0000000 -0.9609551 0.0000000 -1.0471011 0.0000000 -0.8106518 0.0000000 -1.5288211 24 O -2.3775511 0.0000000 0.7158135 0.0000000 -1.1225854 0.0000000 0.8083640 0.0000000 -1.6467578 25 U 4.4636853 0.0000000 0.5722167 0.0000000 6.8622693 0.0000000 -1.0422541 0.0000000 6.3306788 26 U 4.4636853 0.0000000 -0.5722167 0.0000000 6.8622693 0.0000000 1.0422541 0.0000000 6.3306788 27 U 4.4636853 0.0000000 0.5722167 0.0000000 6.8622693 0.0000000 -1.0422541 0.0000000 6.3306788 28 U 4.4636853 0.0000000 -0.5722167 0.0000000 6.8622693 0.0000000 1.0422541 0.0000000 6.3306788 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 289, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.946 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.138 ( 0.000 0.000 0.000) 0.000 8.695 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.420 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 10.440 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 10.883 ( 0.000 0.000 0.000) 0.000 10.898 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 11.167 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.450 ( 0.000 0.000 0.000) 0.000 11.603 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 11.925 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.444 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.518 ( 0.000 0.000 0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 13.080 ( 0.000 0.000 0.000) 0.000 13.246 ( 0.000 0.000 0.000) 0.000 13.352 ( 0.000 0.000 0.000) 0.000 13.907 ( 0.000 0.000 0.000) 0.000 13.932 ( 0.000 0.000 0.000) 0.000 14.040 ( 0.000 0.000 0.000) 0.000 14.166 ( 0.000 0.000 0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 14.463 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 16.241 ( 0.000 0.000 0.000) 0.000 16.380 ( 0.000 0.000 0.000) 0.000 16.457 ( 0.000 0.000 0.000) 0.000 16.649 ( 0.000 0.000 0.000) 0.000 18.146 ( 0.000 0.000 0.000) 0.000 20.051 ( 0.000 0.000 0.000) 0.000 21.106 ( 0.000 0.000 0.000) 0.000 21.252 ( 0.000 0.000 0.000) 0.000 21.470 ( 0.000 0.000 0.000) 0.000 22.467 ( 0.000 0.000 0.000) 0.000 22.690 ( 0.000 0.000 0.000) 0.000 22.703 ( 0.000 0.000 0.000) 0.000 23.361 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 19.588 0.000 0.000) 19.588 0.442 ( 22.799 0.000 0.000) 22.799 0.932 ( 46.842 0.000 0.000) 46.842 1.316 ( -7.765 0.000 0.000) 7.765 1.459 ( -9.354 0.000 0.000) 9.354 2.782 ( 4.043 0.000 0.000) 4.043 3.027 ( -18.209 0.000 0.000) 18.209 3.170 ( -6.458 0.000 0.000) 6.458 3.264 ( -0.691 0.000 0.000) 0.691 3.332 ( -2.119 0.000 0.000) 2.119 3.982 ( 6.362 0.000 0.000) 6.362 4.178 ( 0.919 0.000 0.000) 0.919 4.213 ( 3.482 0.000 0.000) 3.482 4.367 ( 3.880 0.000 0.000) 3.880 4.400 ( -1.248 0.000 0.000) 1.248 4.706 ( -4.495 0.000 0.000) 4.495 4.963 ( 5.560 0.000 0.000) 5.560 5.107 ( 0.737 0.000 0.000) 0.737 5.257 ( -1.930 0.000 0.000) 1.930 5.363 ( -7.681 0.000 0.000) 7.681 5.749 ( -4.185 0.000 0.000) 4.185 5.791 ( -3.185 0.000 0.000) 3.185 6.150 ( 9.954 0.000 0.000) 9.954 6.150 ( 4.662 0.000 0.000) 4.662 6.425 ( -0.919 0.000 0.000) 0.919 6.782 ( -9.393 0.000 0.000) 9.393 6.819 ( 5.288 0.000 0.000) 5.288 6.829 ( 7.459 0.000 0.000) 7.459 7.085 ( 1.680 0.000 0.000) 1.680 7.139 ( -6.171 0.000 0.000) 6.171 7.430 ( 2.005 0.000 0.000) 2.005 7.811 ( -7.195 0.000 0.000) 7.195 7.966 ( 7.088 0.000 0.000) 7.088 8.011 ( -0.098 0.000 0.000) 0.098 8.136 ( -0.210 0.000 0.000) 0.210 8.463 ( -14.673 0.000 0.000) 14.673 8.848 ( 5.983 0.000 0.000) 5.983 8.890 ( 6.444 0.000 0.000) 6.444 9.038 ( -0.590 0.000 0.000) 0.590 9.373 ( -6.685 0.000 0.000) 6.685 9.706 ( 6.550 0.000 0.000) 6.550 9.743 ( 2.784 0.000 0.000) 2.784 9.919 ( -1.697 0.000 0.000) 1.697 10.284 ( -6.643 0.000 0.000) 6.643 10.466 ( 2.632 0.000 0.000) 2.632 10.745 ( -6.524 0.000 0.000) 6.524 10.801 ( -1.930 0.000 0.000) 1.930 11.010 ( 6.494 0.000 0.000) 6.494 11.164 ( 12.303 0.000 0.000) 12.303 11.171 ( 0.233 0.000 0.000) 0.233 11.183 ( -8.652 0.000 0.000) 8.652 11.452 ( 0.277 0.000 0.000) 0.277 11.564 ( -3.312 0.000 0.000) 3.312 11.664 ( -2.518 0.000 0.000) 2.518 11.989 ( 5.929 0.000 0.000) 5.929 12.063 ( 9.059 0.000 0.000) 9.059 12.388 ( -5.135 0.000 0.000) 5.135 12.465 ( -1.274 0.000 0.000) 1.274 12.532 ( 0.952 0.000 0.000) 0.952 12.606 ( -1.325 0.000 0.000) 1.325 13.036 ( -3.894 0.000 0.000) 3.894 13.135 ( -5.603 0.000 0.000) 5.603 13.263 ( 1.576 0.000 0.000) 1.576 13.347 ( -0.569 0.000 0.000) 0.569 13.900 ( -0.301 0.000 0.000) 0.301 13.937 ( 0.349 0.000 0.000) 0.349 14.147 ( -1.968 0.000 0.000) 1.968 14.169 ( -8.166 0.000 0.000) 8.166 15.025 ( 35.284 0.000 0.000) 35.284 15.674 ( -0.090 0.000 0.000) 0.090 15.751 ( 0.040 0.000 0.000) 0.040 16.232 ( -1.172 0.000 0.000) 1.172 16.387 ( 1.046 0.000 0.000) 1.046 16.685 ( 3.721 0.000 0.000) 3.721 16.901 ( -4.337 0.000 0.000) 4.337 17.778 ( -33.564 0.000 0.000) 33.564 20.306 ( 22.137 0.000 0.000) 22.137 21.230 ( 12.628 0.000 0.000) 12.628 21.382 ( -9.170 0.000 0.000) 9.170 22.435 ( -21.249 0.000 0.000) 21.249 22.491 ( 2.392 0.000 0.000) 2.392 22.682 ( -2.197 0.000 0.000) 2.197 23.577 ( 17.241 0.000 0.000) 17.241 24.348 ( -6.178 0.000 0.000) 6.178 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 18.453 0.000 0.000) 18.453 0.857 ( 20.576 0.000 0.000) 20.576 1.063 ( -15.054 0.000 0.000) 15.054 1.211 ( -16.293 0.000 0.000) 16.293 1.817 ( 42.318 0.000 0.000) 42.318 2.538 ( -32.666 0.000 0.000) 32.666 2.886 ( 6.737 0.000 0.000) 6.737 3.028 ( -7.872 0.000 0.000) 7.872 3.258 ( 0.483 0.000 0.000) 0.483 3.286 ( -2.305 0.000 0.000) 2.305 4.107 ( 5.831 0.000 0.000) 5.831 4.179 ( -1.513 0.000 0.000) 1.513 4.291 ( 4.265 0.000 0.000) 4.265 4.361 ( -2.885 0.000 0.000) 2.885 4.468 ( 6.393 0.000 0.000) 6.393 4.596 ( -6.687 0.000 0.000) 6.687 5.089 ( 6.768 0.000 0.000) 6.768 5.134 ( 2.461 0.000 0.000) 2.461 5.197 ( -4.414 0.000 0.000) 4.414 5.217 ( -6.508 0.000 0.000) 6.508 5.708 ( -0.380 0.000 0.000) 0.380 5.730 ( -2.553 0.000 0.000) 2.553 6.291 ( 10.297 0.000 0.000) 10.297 6.304 ( 6.157 0.000 0.000) 6.157 6.390 ( -3.021 0.000 0.000) 3.021 6.534 ( -14.514 0.000 0.000) 14.514 6.943 ( 6.916 0.000 0.000) 6.916 6.996 ( 8.430 0.000 0.000) 8.430 7.052 ( -4.326 0.000 0.000) 4.326 7.095 ( -1.678 0.000 0.000) 1.678 7.495 ( 5.136 0.000 0.000) 5.136 7.634 ( -9.293 0.000 0.000) 9.293 8.040 ( 4.175 0.000 0.000) 4.175 8.087 ( 4.148 0.000 0.000) 4.148 8.128 ( -0.816 0.000 0.000) 0.816 8.196 ( -12.117 0.000 0.000) 12.117 8.978 ( 3.100 0.000 0.000) 3.100 9.001 ( 9.876 0.000 0.000) 9.876 9.019 ( -1.437 0.000 0.000) 1.437 9.203 ( -10.587 0.000 0.000) 10.587 9.807 ( 3.669 0.000 0.000) 3.669 9.873 ( -3.066 0.000 0.000) 3.066 9.879 ( 11.066 0.000 0.000) 11.066 10.101 ( -11.561 0.000 0.000) 11.561 10.535 ( 4.453 0.000 0.000) 4.453 10.630 ( -5.533 0.000 0.000) 5.533 10.852 ( 6.270 0.000 0.000) 6.270 11.005 ( -9.268 0.000 0.000) 9.268 11.113 ( 4.147 0.000 0.000) 4.147 11.164 ( -1.309 0.000 0.000) 1.309 11.387 ( 10.839 0.000 0.000) 10.839 11.465 ( 1.274 0.000 0.000) 1.274 11.503 ( -2.743 0.000 0.000) 2.743 11.565 ( -7.572 0.000 0.000) 7.572 12.123 ( 7.650 0.000 0.000) 7.650 12.262 ( 10.337 0.000 0.000) 10.337 12.267 ( -7.263 0.000 0.000) 7.263 12.412 ( -4.972 0.000 0.000) 4.972 12.550 ( 1.098 0.000 0.000) 1.098 12.576 ( -1.596 0.000 0.000) 1.596 12.977 ( -1.100 0.000 0.000) 1.100 13.019 ( -5.258 0.000 0.000) 5.258 13.298 ( 1.918 0.000 0.000) 1.918 13.329 ( -1.328 0.000 0.000) 1.328 13.913 ( 1.536 0.000 0.000) 1.536 13.937 ( -0.602 0.000 0.000) 0.602 14.091 ( -1.183 0.000 0.000) 1.183 14.103 ( -2.041 0.000 0.000) 2.041 15.617 ( 13.337 0.000 0.000) 13.337 15.673 ( -0.122 0.000 0.000) 0.122 15.855 ( 20.371 0.000 0.000) 20.371 16.173 ( -6.782 0.000 0.000) 6.782 16.457 ( 8.837 0.000 0.000) 8.837 16.757 ( -13.244 0.000 0.000) 13.244 16.788 ( 7.451 0.000 0.000) 7.451 17.092 ( -31.146 0.000 0.000) 31.146 20.749 ( 22.600 0.000 0.000) 22.600 21.130 ( -17.045 0.000 0.000) 17.045 21.559 ( 21.109 0.000 0.000) 21.109 21.995 ( -23.898 0.000 0.000) 23.898 22.551 ( 3.778 0.000 0.000) 3.778 22.624 ( -3.659 0.000 0.000) 3.659 23.906 ( 16.282 0.000 0.000) 16.282 24.176 ( -11.843 0.000 0.000) 11.843 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 23.671 0.000) 23.671 0.655 ( 0.000 31.342 0.000) 31.342 0.967 ( 0.000 44.834 0.000) 44.834 1.557 ( 0.000 14.157 0.000) 14.157 1.804 ( 0.000 21.982 0.000) 21.982 2.892 ( 0.000 12.681 0.000) 12.681 3.197 ( 0.000 -1.030 0.000) 1.030 3.211 ( 0.000 -10.756 0.000) 10.756 3.220 ( 0.000 -3.924 0.000) 3.924 3.580 ( 0.000 12.375 0.000) 12.375 3.774 ( 0.000 -16.409 0.000) 16.409 3.858 ( 0.000 -5.818 0.000) 5.818 4.256 ( 0.000 -4.714 0.000) 4.714 4.356 ( 0.000 -12.081 0.000) 12.081 4.671 ( 0.000 9.698 0.000) 9.698 4.727 ( 0.000 28.545 0.000) 28.545 5.080 ( 0.000 8.620 0.000) 8.620 5.267 ( 0.000 -0.362 0.000) 0.362 5.346 ( 0.000 4.223 0.000) 4.223 5.581 ( 0.000 11.215 0.000) 11.215 5.717 ( 0.000 -6.059 0.000) 6.059 5.910 ( 0.000 5.449 0.000) 5.449 5.998 ( 0.000 -8.410 0.000) 8.410 6.028 ( 0.000 3.412 0.000) 3.412 6.191 ( 0.000 15.889 0.000) 15.889 6.672 ( 0.000 12.974 0.000) 12.974 6.702 ( 0.000 -7.502 0.000) 7.502 6.781 ( 0.000 -4.421 0.000) 4.421 6.786 ( 0.000 -1.188 0.000) 1.188 7.234 ( 0.000 -0.112 0.000) 0.112 7.542 ( 0.000 0.224 0.000) 0.224 7.753 ( 0.000 -7.116 0.000) 7.116 7.799 ( 0.000 -11.603 0.000) 11.603 7.962 ( 0.000 -0.715 0.000) 0.715 8.137 ( 0.000 1.195 0.000) 1.195 8.746 ( 0.000 4.410 0.000) 4.410 8.750 ( 0.000 -0.309 0.000) 0.309 8.881 ( 0.000 5.626 0.000) 5.626 9.146 ( 0.000 7.560 0.000) 7.560 9.200 ( 0.000 -14.295 0.000) 14.295 9.716 ( 0.000 7.400 0.000) 7.400 9.944 ( 0.000 15.314 0.000) 15.314 10.036 ( 0.000 9.287 0.000) 9.287 10.312 ( 0.000 -2.663 0.000) 2.663 10.547 ( 0.000 0.280 0.000) 0.280 10.738 ( 0.000 -11.677 0.000) 11.677 10.812 ( 0.000 -7.453 0.000) 7.453 10.857 ( 0.000 -1.396 0.000) 1.396 10.873 ( 0.000 -2.289 0.000) 2.289 11.274 ( 0.000 -0.544 0.000) 0.544 11.433 ( 0.000 6.405 0.000) 6.405 11.498 ( 0.000 3.447 0.000) 3.447 11.640 ( 0.000 -3.296 0.000) 3.296 11.684 ( 0.000 6.501 0.000) 6.501 11.922 ( 0.000 -4.185 0.000) 4.185 11.986 ( 0.000 2.125 0.000) 2.125 12.007 ( 0.000 -1.126 0.000) 1.126 12.333 ( 0.000 -13.931 0.000) 13.931 12.427 ( 0.000 -8.053 0.000) 8.053 12.533 ( 0.000 7.772 0.000) 7.772 12.626 ( 0.000 -0.762 0.000) 0.762 12.872 ( 0.000 -12.504 0.000) 12.504 13.446 ( 0.000 10.870 0.000) 10.870 13.903 ( 0.000 -0.376 0.000) 0.376 13.922 ( 0.000 -1.521 0.000) 1.521 14.048 ( 0.000 0.491 0.000) 0.491 14.082 ( 0.000 -7.468 0.000) 7.468 14.417 ( 0.000 -4.137 0.000) 4.137 14.609 ( 0.000 13.144 0.000) 13.144 15.755 ( 0.000 0.530 0.000) 0.530 16.256 ( 0.000 1.420 0.000) 1.420 16.382 ( 0.000 0.119 0.000) 0.119 16.462 ( 0.000 0.356 0.000) 0.356 16.612 ( 0.000 -3.296 0.000) 3.296 18.227 ( 0.000 7.712 0.000) 7.712 20.064 ( 0.000 0.227 0.000) 0.227 20.411 ( 0.000 -11.665 0.000) 11.665 21.204 ( 0.000 -4.498 0.000) 4.498 21.268 ( 0.000 12.053 0.000) 12.053 21.546 ( 0.000 7.191 0.000) 7.191 22.434 ( 0.000 -3.174 0.000) 3.174 22.639 ( 0.000 -4.155 0.000) 4.155 22.701 ( 0.000 -0.274 0.000) 0.274 23.276 ( 0.000 -7.815 0.000) 7.815 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 9.874 27.333 0.000) 29.062 0.805 ( 20.446 19.544 0.000) 28.284 1.246 ( 28.476 30.060 0.000) 41.406 1.482 ( -7.113 14.887 0.000) 16.499 1.719 ( -8.654 22.299 0.000) 23.919 2.870 ( -4.168 4.822 0.000) 6.374 3.063 ( -11.615 4.153 0.000) 12.335 3.151 ( -5.471 -8.380 0.000) 10.008 3.233 ( 1.439 -0.611 0.000) 1.563 3.491 ( -6.431 14.944 0.000) 16.269 3.826 ( 4.792 -15.691 0.000) 16.406 3.907 ( 4.001 -7.279 0.000) 8.306 4.275 ( 1.925 -5.691 0.000) 6.008 4.364 ( 0.209 -12.201 0.000) 12.203 4.684 ( 1.107 11.916 0.000) 11.967 4.732 ( 0.369 27.653 0.000) 27.655 5.096 ( 1.942 7.446 0.000) 7.695 5.252 ( -3.115 8.395 0.000) 8.954 5.253 ( -1.442 0.158 0.000) 1.451 5.473 ( -8.929 8.465 0.000) 12.304 5.853 ( -2.050 9.476 0.000) 9.696 5.915 ( 3.744 2.461 0.000) 4.480 6.052 ( 5.760 -7.524 0.000) 9.476 6.193 ( 10.889 3.006 0.000) 11.296 6.272 ( 9.555 -7.496 0.000) 12.145 6.627 ( -8.078 -9.491 0.000) 12.464 6.692 ( 2.274 6.272 0.000) 6.671 6.795 ( 1.099 -6.629 0.000) 6.720 6.842 ( 5.588 -1.998 0.000) 5.934 7.189 ( -2.769 3.599 0.000) 4.541 7.591 ( 3.381 3.014 0.000) 4.530 7.609 ( -8.561 -11.691 0.000) 14.490 7.915 ( 6.668 -5.054 0.000) 8.367 8.051 ( 6.920 -0.362 0.000) 6.930 8.083 ( -4.477 -1.696 0.000) 4.787 8.545 ( -11.476 4.716 0.000) 12.407 8.858 ( -1.490 3.302 0.000) 3.622 8.868 ( 3.178 -1.221 0.000) 3.404 9.174 ( 2.493 8.298 0.000) 8.664 9.227 ( 2.227 -8.911 0.000) 9.185 9.726 ( 1.167 3.233 0.000) 3.438 9.927 ( -2.110 11.526 0.000) 11.718 10.058 ( 2.149 11.564 0.000) 11.762 10.284 ( -3.953 0.437 0.000) 3.977 10.544 ( 0.264 2.455 0.000) 2.469 10.653 ( -4.598 -6.113 0.000) 7.649 10.676 ( -4.435 -7.166 0.000) 8.427 10.911 ( 2.395 -5.488 0.000) 5.988 11.055 ( 9.473 -6.226 0.000) 11.336 11.195 ( -5.665 -0.253 0.000) 5.671 11.375 ( -1.781 9.061 0.000) 9.234 11.507 ( 1.332 4.423 0.000) 4.619 11.644 ( -1.728 -1.946 0.000) 2.603 11.657 ( -2.476 7.498 0.000) 7.896 12.007 ( 8.606 -4.711 0.000) 9.811 12.020 ( 4.838 2.598 0.000) 5.492 12.222 ( 11.005 -16.499 0.000) 19.833 12.356 ( 4.122 -13.454 0.000) 14.071 12.415 ( -1.264 -7.954 0.000) 8.054 12.475 ( -5.463 4.903 0.000) 7.340 12.605 ( -2.456 -1.611 0.000) 2.937 12.800 ( -6.715 -13.476 0.000) 15.056 13.466 ( 1.948 9.529 0.000) 9.726 13.769 ( -9.916 1.848 0.000) 10.087 13.960 ( 5.622 4.886 0.000) 7.449 14.074 ( -0.556 -5.368 0.000) 5.397 14.157 ( 5.068 1.919 0.000) 5.419 14.187 ( -9.700 0.346 0.000) 9.707 15.092 ( 34.251 6.536 0.000) 34.869 15.785 ( 3.874 3.710 0.000) 5.364 16.239 ( -2.738 2.213 0.000) 3.521 16.372 ( -9.367 8.949 0.000) 12.955 16.390 ( 1.200 0.204 0.000) 1.217 16.651 ( 4.040 -3.141 0.000) 5.117 17.836 ( -36.575 7.893 0.000) 37.417 18.068 ( -94.889 65.417 0.000) 115.254 20.364 ( 22.865 5.631 0.000) 23.548 21.281 ( 11.769 4.701 0.000) 12.673 21.458 ( -9.217 7.153 0.000) 11.667 22.410 ( -19.463 -1.997 0.000) 19.565 22.461 ( 2.746 -2.848 0.000) 3.956 22.678 ( -2.461 -0.455 0.000) 2.503 23.108 ( 61.416 -62.531 0.000) 87.647 23.446 ( 13.159 -11.712 0.000) 17.617 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 13.450 20.984 0.000) 24.925 1.136 ( 11.135 19.885 0.000) 22.791 1.295 ( -6.288 20.947 0.000) 21.870 1.494 ( -14.349 23.310 0.000) 27.372 1.917 ( 36.275 10.398 0.000) 37.736 2.546 ( -28.189 1.609 0.000) 28.235 2.971 ( 1.291 2.531 0.000) 2.841 3.040 ( -5.400 -4.225 0.000) 6.856 3.285 ( 4.040 7.097 0.000) 8.166 3.378 ( -5.488 12.307 0.000) 13.475 3.921 ( 4.299 -13.844 0.000) 14.496 3.960 ( 0.608 -10.640 0.000) 10.657 4.319 ( 2.318 -8.177 0.000) 8.499 4.354 ( -1.254 -10.760 0.000) 10.833 4.708 ( 1.400 18.245 0.000) 18.298 4.731 ( -0.692 24.477 0.000) 24.486 5.156 ( 3.784 4.660 0.000) 6.003 5.215 ( -2.482 2.151 0.000) 3.284 5.239 ( 1.392 7.673 0.000) 7.798 5.316 ( -6.623 6.930 0.000) 9.585 5.843 ( 0.908 11.907 0.000) 11.942 5.886 ( -3.246 12.343 0.000) 12.763 6.195 ( 9.484 -6.306 0.000) 11.389 6.349 ( 2.748 1.275 0.000) 3.029 6.405 ( 2.480 -5.731 0.000) 6.245 6.430 ( -9.304 -7.282 0.000) 11.815 6.750 ( 3.373 -6.730 0.000) 7.528 6.798 ( -1.231 -11.046 0.000) 11.115 6.985 ( 8.765 -5.232 0.000) 10.208 7.132 ( -5.208 -0.951 0.000) 5.294 7.520 ( 1.015 -1.927 0.000) 2.178 7.597 ( -3.613 6.686 0.000) 7.599 8.000 ( 1.957 -6.203 0.000) 6.504 8.019 ( -1.490 -7.656 0.000) 7.800 8.186 ( 7.260 4.832 0.000) 8.721 8.341 ( -9.477 7.676 0.000) 12.195 8.853 ( 1.119 -1.412 0.000) 1.801 8.881 ( -1.091 -3.841 0.000) 3.993 9.225 ( 2.494 7.851 0.000) 8.237 9.253 ( -0.073 1.542 0.000) 1.543 9.769 ( 3.584 -1.578 0.000) 3.916 9.856 ( -4.929 3.135 0.000) 5.842 10.110 ( 3.309 12.876 0.000) 13.295 10.187 ( -4.898 7.375 0.000) 8.853 10.552 ( 1.219 1.648 0.000) 2.050 10.599 ( -3.471 -3.157 0.000) 4.692 10.701 ( 7.279 -8.801 0.000) 11.421 10.857 ( -7.575 -7.719 0.000) 10.815 11.157 ( 1.317 -0.140 0.000) 1.325 11.168 ( 1.755 -3.141 0.000) 3.598 11.422 ( 6.340 3.675 0.000) 7.328 11.542 ( 0.309 5.073 0.000) 5.083 11.564 ( -4.222 1.446 0.000) 4.462 11.604 ( -2.966 8.482 0.000) 8.986 12.133 ( 6.311 0.869 0.000) 6.370 12.174 ( 5.446 -4.624 0.000) 7.144 12.300 ( 1.275 -11.803 0.000) 11.872 12.347 ( -5.191 3.594 0.000) 6.314 12.414 ( 1.351 -13.392 0.000) 13.460 12.485 ( 1.468 -18.605 0.000) 18.662 12.540 ( 0.323 -4.484 0.000) 4.495 12.658 ( -7.434 -14.499 0.000) 16.294 13.517 ( 3.508 7.352 0.000) 8.145 13.609 ( -6.534 5.261 0.000) 8.388 14.063 ( -0.265 -4.203 0.000) 4.211 14.077 ( -1.118 0.435 0.000) 1.200 14.093 ( 5.638 9.538 0.000) 11.080 14.187 ( -2.148 10.214 0.000) 10.437 15.687 ( 21.692 6.868 0.000) 22.753 15.989 ( 19.859 12.065 0.000) 23.237 16.022 ( -17.783 19.032 0.000) 26.047 16.236 ( -5.341 6.796 0.000) 8.644 16.478 ( 12.018 2.019 0.000) 12.186 16.772 ( 9.365 -1.380 0.000) 9.466 16.977 ( -33.121 22.340 0.000) 39.951 17.119 ( -33.678 2.815 0.000) 33.796 20.819 ( 22.997 6.654 0.000) 23.940 21.204 ( -17.155 7.042 0.000) 18.544 21.590 ( 19.906 2.957 0.000) 20.124 22.001 ( -22.442 0.736 0.000) 22.454 22.530 ( 4.309 -2.039 0.000) 4.767 22.613 ( -4.143 -1.120 0.000) 4.292 23.664 ( 8.070 -20.672 0.000) 22.191 23.682 ( 9.013 -37.663 0.000) 38.727 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 24.006 0.000) 24.006 1.298 ( 0.000 30.084 0.000) 30.084 1.832 ( 0.000 36.820 0.000) 36.820 1.937 ( 0.000 21.646 0.000) 21.646 2.349 ( 0.000 28.001 0.000) 28.001 2.921 ( 0.000 -16.487 0.000) 16.487 3.050 ( 0.000 -1.580 0.000) 1.580 3.121 ( 0.000 -4.746 0.000) 4.746 3.218 ( 0.000 -3.659 0.000) 3.659 3.583 ( 0.000 6.642 0.000) 6.642 3.663 ( 0.000 -12.731 0.000) 12.731 3.909 ( 0.000 18.694 0.000) 18.694 3.977 ( 0.000 -20.740 0.000) 20.740 4.121 ( 0.000 -7.532 0.000) 7.532 5.073 ( 0.000 20.762 0.000) 20.762 5.208 ( 0.000 5.930 0.000) 5.930 5.270 ( 0.000 0.424 0.000) 0.424 5.313 ( 0.000 24.274 0.000) 24.274 5.441 ( 0.000 3.938 0.000) 3.938 5.596 ( 0.000 -5.280 0.000) 5.280 5.840 ( 0.000 -5.226 0.000) 5.226 5.844 ( 0.000 14.057 0.000) 14.057 5.944 ( 0.000 -6.203 0.000) 6.203 6.153 ( 0.000 8.514 0.000) 8.514 6.461 ( 0.000 5.746 0.000) 5.746 6.466 ( 0.000 -10.118 0.000) 10.118 6.746 ( 0.000 -0.563 0.000) 0.563 6.867 ( 0.000 12.656 0.000) 12.656 7.000 ( 0.000 14.793 0.000) 14.793 7.214 ( 0.000 -3.156 0.000) 3.156 7.491 ( 0.000 -2.156 0.000) 2.156 7.603 ( 0.000 -3.503 0.000) 3.503 7.604 ( 0.000 -4.248 0.000) 4.248 7.968 ( 0.000 -1.395 0.000) 1.395 8.180 ( 0.000 0.075 0.000) 0.075 8.750 ( 0.000 1.861 0.000) 1.861 8.796 ( 0.000 -5.645 0.000) 5.645 8.937 ( 0.000 0.059 0.000) 0.059 8.960 ( 0.000 -3.160 0.000) 3.160 9.263 ( 0.000 2.108 0.000) 2.108 9.941 ( 0.000 12.875 0.000) 12.875 10.244 ( 0.000 -3.589 0.000) 3.589 10.262 ( 0.000 8.475 0.000) 8.475 10.264 ( 0.000 14.757 0.000) 14.757 10.522 ( 0.000 -4.375 0.000) 4.375 10.567 ( 0.000 2.030 0.000) 2.030 10.620 ( 0.000 -10.430 0.000) 10.430 10.812 ( 0.000 -2.746 0.000) 2.746 10.832 ( 0.000 -1.517 0.000) 1.517 11.254 ( 0.000 -1.667 0.000) 1.667 11.535 ( 0.000 -6.721 0.000) 6.721 11.580 ( 0.000 4.851 0.000) 4.851 11.593 ( 0.000 8.315 0.000) 8.315 11.701 ( 0.000 -12.498 0.000) 12.498 11.832 ( 0.000 -3.492 0.000) 3.492 12.018 ( 0.000 3.751 0.000) 3.751 12.051 ( 0.000 4.064 0.000) 4.064 12.085 ( 0.000 -2.943 0.000) 2.943 12.221 ( 0.000 -10.877 0.000) 10.877 12.586 ( 0.000 -2.627 0.000) 2.627 12.609 ( 0.000 -12.878 0.000) 12.878 12.735 ( 0.000 11.065 0.000) 11.065 13.602 ( 0.000 2.981 0.000) 2.981 13.763 ( 0.000 -15.247 0.000) 15.247 13.894 ( 0.000 -0.469 0.000) 0.469 13.971 ( 0.000 -1.317 0.000) 1.317 14.048 ( 0.000 -0.636 0.000) 0.636 14.253 ( 0.000 -11.212 0.000) 11.212 14.955 ( 0.000 18.781 0.000) 18.781 15.788 ( 0.000 2.276 0.000) 2.276 16.297 ( 0.000 2.403 0.000) 2.403 16.383 ( 0.000 0.002 0.000) 0.002 16.465 ( 0.000 -0.295 0.000) 0.295 16.523 ( 0.000 -4.968 0.000) 4.968 18.456 ( 0.000 13.854 0.000) 13.854 19.927 ( 0.000 -14.585 0.000) 14.585 20.304 ( 0.000 3.232 0.000) 3.232 21.070 ( 0.000 -8.151 0.000) 8.151 21.531 ( 0.000 12.573 0.000) 12.573 21.758 ( 0.000 12.720 0.000) 12.720 22.338 ( 0.000 -5.943 0.000) 5.943 22.559 ( 0.000 -2.685 0.000) 2.685 22.684 ( 0.000 -1.678 0.000) 1.678 23.058 ( 0.000 -12.502 0.000) 12.502 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 18.339 18.905 0.000) 26.338 1.356 ( 5.811 29.022 0.000) 29.598 1.872 ( -4.463 21.361 0.000) 21.823 1.967 ( 11.720 34.712 0.000) 36.637 2.258 ( -9.401 26.625 0.000) 28.236 2.892 ( -2.558 -15.290 0.000) 15.502 2.894 ( -11.409 -1.271 0.000) 11.480 3.046 ( -7.184 -4.372 0.000) 8.410 3.360 ( 9.361 -2.017 0.000) 9.576 3.614 ( 3.281 6.524 0.000) 7.302 3.675 ( 0.371 -12.924 0.000) 12.929 3.870 ( -3.493 18.381 0.000) 18.710 4.001 ( 2.186 -19.075 0.000) 19.200 4.114 ( -0.733 -8.885 0.000) 8.915 5.101 ( 2.814 20.638 0.000) 20.829 5.199 ( -0.237 4.015 0.000) 4.022 5.258 ( -1.195 2.694 0.000) 2.948 5.322 ( 0.831 22.436 0.000) 22.451 5.402 ( -1.133 6.356 0.000) 6.456 5.646 ( -12.398 8.432 0.000) 14.994 5.762 ( 12.496 -9.528 0.000) 15.714 5.885 ( 4.843 -5.665 0.000) 7.453 6.056 ( 2.828 1.651 0.000) 3.275 6.184 ( 3.441 -0.771 0.000) 3.526 6.442 ( -2.542 9.499 0.000) 9.833 6.442 ( -3.897 -5.357 0.000) 6.625 6.711 ( -0.555 1.099 0.000) 1.231 6.811 ( -3.301 7.399 0.000) 8.102 6.999 ( -0.532 12.786 0.000) 12.797 7.163 ( -6.157 -6.374 0.000) 8.862 7.509 ( 0.442 2.615 0.000) 2.652 7.572 ( 6.778 -1.537 0.000) 6.950 7.797 ( 8.672 -3.917 0.000) 9.516 8.010 ( 5.216 -3.495 0.000) 6.278 8.079 ( -9.489 -1.546 0.000) 9.614 8.590 ( -8.944 0.410 0.000) 8.953 8.898 ( 1.845 3.177 0.000) 3.674 8.927 ( -0.673 1.892 0.000) 2.009 9.048 ( 9.298 -6.984 0.000) 11.629 9.285 ( 1.784 1.182 0.000) 2.140 9.871 ( -5.300 10.273 0.000) 11.560 10.109 ( -8.818 3.768 0.000) 9.589 10.293 ( 2.063 6.075 0.000) 6.416 10.351 ( 1.320 6.998 0.000) 7.121 10.475 ( -1.468 -6.211 0.000) 6.382 10.534 ( 1.155 -0.588 0.000) 1.296 10.646 ( -0.126 3.175 0.000) 3.177 10.829 ( 0.279 -3.037 0.000) 3.050 10.928 ( 7.920 -5.326 0.000) 9.544 11.169 ( -5.542 -1.822 0.000) 5.834 11.553 ( -3.022 8.041 0.000) 8.591 11.580 ( 0.946 -4.337 0.000) 4.439 11.619 ( 4.200 6.305 0.000) 7.576 11.741 ( 3.843 -9.406 0.000) 10.160 11.889 ( 6.684 -6.088 0.000) 9.041 11.974 ( -3.344 -1.135 0.000) 3.531 12.093 ( 3.279 3.730 0.000) 4.967 12.152 ( 5.569 -3.966 0.000) 6.837 12.182 ( -4.269 -11.758 0.000) 12.509 12.531 ( -6.925 -10.209 0.000) 12.337 12.556 ( -3.189 -2.759 0.000) 4.217 12.652 ( -7.667 8.273 0.000) 11.280 13.569 ( -1.319 0.292 0.000) 1.351 13.725 ( -4.010 -9.709 0.000) 10.504 13.915 ( -1.702 -4.452 0.000) 4.766 14.033 ( 9.935 0.492 0.000) 9.947 14.126 ( -7.565 -5.862 0.000) 9.570 14.150 ( 6.439 -1.963 0.000) 6.732 15.304 ( 30.031 13.603 0.000) 32.968 15.908 ( 13.422 7.118 0.000) 15.193 16.287 ( -1.210 2.660 0.000) 2.923 16.392 ( 1.379 -0.056 0.000) 1.380 16.444 ( -2.179 0.875 0.000) 2.348 16.562 ( 4.398 -5.195 0.000) 6.806 18.027 ( -38.456 11.380 0.000) 40.105 18.802 ( -78.794 11.881 0.000) 79.685 20.533 ( 24.673 10.187 0.000) 26.694 21.391 ( 12.752 4.110 0.000) 13.398 21.669 ( -9.281 12.700 0.000) 15.730 22.225 ( 49.991 -25.926 0.000) 56.314 22.374 ( 3.673 -5.396 0.000) 6.528 22.377 ( -15.813 -0.688 0.000) 15.828 22.657 ( -3.003 -1.685 0.000) 3.444 23.141 ( 5.487 -16.370 0.000) 17.266 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 8.217 26.056 0.000) 27.321 1.540 ( 12.342 18.016 0.000) 21.838 1.777 ( -0.150 23.016 0.000) 23.016 2.010 ( -15.945 22.788 0.000) 27.812 2.281 ( 19.423 23.639 0.000) 30.595 2.638 ( -16.488 7.527 0.000) 18.125 2.853 ( -0.693 -11.804 0.000) 11.825 2.898 ( -5.988 -5.855 0.000) 8.375 3.524 ( 7.649 -3.306 0.000) 8.333 3.641 ( -4.259 -8.179 0.000) 9.221 3.699 ( 5.217 7.432 0.000) 9.080 3.794 ( -4.460 12.830 0.000) 13.583 4.049 ( 2.643 -15.771 0.000) 15.991 4.092 ( -1.699 -12.049 0.000) 12.168 5.171 ( 3.804 15.301 0.000) 15.766 5.226 ( -2.202 5.754 0.000) 6.162 5.231 ( 4.280 7.930 0.000) 9.011 5.324 ( -2.111 22.222 0.000) 22.322 5.397 ( 0.137 8.240 0.000) 8.241 5.442 ( -7.302 4.692 0.000) 8.679 5.952 ( 6.726 -7.045 0.000) 9.741 6.045 ( 11.115 -12.419 0.000) 16.666 6.046 ( -3.006 -1.178 0.000) 3.229 6.212 ( -3.413 -13.262 0.000) 13.694 6.332 ( -3.685 6.417 0.000) 7.400 6.364 ( -4.565 12.960 0.000) 13.741 6.769 ( 4.424 6.253 0.000) 7.660 6.797 ( 0.992 1.665 0.000) 1.938 6.980 ( -0.836 7.524 0.000) 7.570 7.027 ( -6.271 -5.038 0.000) 8.044 7.583 ( 6.090 3.297 0.000) 6.925 7.667 ( 0.616 -1.225 0.000) 1.371 7.874 ( 0.286 -4.083 0.000) 4.093 7.901 ( -6.068 -2.423 0.000) 6.534 8.185 ( 11.793 -2.081 0.000) 11.975 8.406 ( -10.811 0.690 0.000) 10.833 8.914 ( 0.504 4.612 0.000) 4.640 8.920 ( -0.133 4.354 0.000) 4.356 9.218 ( 7.276 -4.127 0.000) 8.364 9.300 ( -1.201 -0.781 0.000) 1.433 9.816 ( 1.029 5.737 0.000) 5.829 9.924 ( -9.330 3.303 0.000) 9.897 10.318 ( 0.567 3.090 0.000) 3.142 10.327 ( -0.991 2.972 0.000) 3.133 10.544 ( 4.204 -1.802 0.000) 4.574 10.559 ( 1.145 3.153 0.000) 3.355 10.648 ( 2.114 5.103 0.000) 5.523 10.760 ( -7.075 -1.675 0.000) 7.271 11.067 ( 5.502 -5.137 0.000) 7.527 11.118 ( -0.717 -2.402 0.000) 2.506 11.516 ( -0.214 4.644 0.000) 4.649 11.549 ( -2.945 -0.698 0.000) 3.026 11.718 ( 5.727 8.888 0.000) 10.573 11.799 ( -0.661 7.314 0.000) 7.344 11.938 ( 2.409 -16.570 0.000) 16.745 12.047 ( 0.571 -17.335 0.000) 17.344 12.072 ( 0.781 -6.480 0.000) 6.527 12.151 ( 0.978 -2.514 0.000) 2.697 12.255 ( 5.558 -3.301 0.000) 6.465 12.389 ( -7.817 -3.307 0.000) 8.488 12.484 ( -2.901 -1.656 0.000) 3.340 12.507 ( -5.558 1.927 0.000) 5.883 13.577 ( 2.001 -1.731 0.000) 2.646 13.638 ( -4.302 -3.704 0.000) 5.677 13.921 ( 1.904 -6.899 0.000) 7.157 13.984 ( -4.868 -6.211 0.000) 7.891 14.218 ( 5.567 0.131 0.000) 5.569 14.243 ( 2.538 -2.272 0.000) 3.406 15.893 ( 27.603 12.246 0.000) 30.197 16.225 ( -7.392 5.451 0.000) 9.184 16.256 ( 13.898 10.561 0.000) 17.456 16.380 ( -4.362 4.323 0.000) 6.142 16.543 ( 23.766 3.981 0.000) 24.097 16.739 ( 18.050 -1.554 0.000) 18.117 17.215 ( -42.172 6.772 0.000) 42.713 17.478 ( -57.604 18.377 0.000) 60.464 21.017 ( 24.045 12.029 0.000) 26.886 21.413 ( -17.369 12.635 0.000) 21.478 21.676 ( 17.508 4.897 0.000) 18.180 22.034 ( -19.276 2.473 0.000) 19.434 22.467 ( 5.696 -4.038 0.000) 6.982 22.575 ( -5.351 -2.572 0.000) 5.938 22.930 ( 23.551 -31.476 0.000) 39.311 23.173 ( -3.879 -24.098 0.000) 24.408 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 23.988 0.000) 23.988 1.897 ( 0.000 27.305 0.000) 27.305 2.282 ( 0.000 4.972 0.000) 4.972 2.550 ( 0.000 29.347 0.000) 29.347 2.615 ( 0.000 -3.634 0.000) 3.634 2.852 ( 0.000 14.062 0.000) 14.062 2.873 ( 0.000 -17.671 0.000) 17.671 3.021 ( 0.000 -5.972 0.000) 5.972 3.106 ( 0.000 9.109 0.000) 9.109 3.334 ( 0.000 -18.543 0.000) 18.543 3.540 ( 0.000 -20.901 0.000) 20.901 3.781 ( 0.000 -6.347 0.000) 6.347 4.145 ( 0.000 20.938 0.000) 20.938 4.332 ( 0.000 21.216 0.000) 21.216 5.074 ( 0.000 -10.525 0.000) 10.525 5.199 ( 0.000 -12.296 0.000) 12.296 5.484 ( 0.000 0.574 0.000) 0.574 5.518 ( 0.000 -1.589 0.000) 1.589 5.606 ( 0.000 4.984 0.000) 4.984 5.617 ( 0.000 19.090 0.000) 19.090 5.686 ( 0.000 -10.625 0.000) 10.625 5.810 ( 0.000 1.630 0.000) 1.630 6.155 ( 0.000 11.229 0.000) 11.229 6.352 ( 0.000 -2.877 0.000) 2.877 6.396 ( 0.000 15.051 0.000) 15.051 6.513 ( 0.000 4.033 0.000) 4.033 6.711 ( 0.000 -3.214 0.000) 3.214 7.023 ( 0.000 -11.005 0.000) 11.005 7.151 ( 0.000 1.742 0.000) 1.742 7.237 ( 0.000 19.391 0.000) 19.391 7.606 ( 0.000 1.702 0.000) 1.702 7.669 ( 0.000 6.576 0.000) 6.576 7.676 ( 0.000 14.899 0.000) 14.899 7.841 ( 0.000 -9.948 0.000) 9.948 8.069 ( 0.000 -7.498 0.000) 7.498 8.545 ( 0.000 -14.316 0.000) 14.316 8.864 ( 0.000 7.791 0.000) 7.791 8.937 ( 0.000 1.259 0.000) 1.259 9.006 ( 0.000 2.467 0.000) 2.467 9.201 ( 0.000 -7.539 0.000) 7.539 10.185 ( 0.000 -1.319 0.000) 1.319 10.186 ( 0.000 9.166 0.000) 9.166 10.283 ( 0.000 -0.613 0.000) 0.613 10.395 ( 0.000 -10.138 0.000) 10.138 10.536 ( 0.000 10.354 0.000) 10.354 10.650 ( 0.000 6.072 0.000) 6.072 10.652 ( 0.000 9.452 0.000) 9.452 10.764 ( 0.000 -1.207 0.000) 1.207 10.804 ( 0.000 -1.123 0.000) 1.123 11.209 ( 0.000 -1.899 0.000) 1.899 11.292 ( 0.000 -21.399 0.000) 21.399 11.373 ( 0.000 -8.207 0.000) 8.207 11.702 ( 0.000 5.770 0.000) 5.770 11.759 ( 0.000 7.289 0.000) 7.289 11.828 ( 0.000 4.937 0.000) 4.937 11.972 ( 0.000 -3.382 0.000) 3.382 12.000 ( 0.000 -9.904 0.000) 9.904 12.153 ( 0.000 5.634 0.000) 5.634 12.277 ( 0.000 8.564 0.000) 8.564 12.330 ( 0.000 -13.918 0.000) 13.918 12.571 ( 0.000 5.232 0.000) 5.232 12.982 ( 0.000 12.658 0.000) 12.658 13.366 ( 0.000 -21.729 0.000) 21.729 13.534 ( 0.000 -9.670 0.000) 9.670 13.891 ( 0.000 0.447 0.000) 0.447 13.969 ( 0.000 0.612 0.000) 0.612 14.024 ( 0.000 -1.563 0.000) 1.563 14.027 ( 0.000 -8.263 0.000) 8.263 15.344 ( 0.000 17.631 0.000) 17.631 15.803 ( 0.000 -2.308 0.000) 2.308 16.352 ( 0.000 2.723 0.000) 2.723 16.381 ( 0.000 -0.220 0.000) 0.220 16.425 ( 0.000 -3.759 0.000) 3.759 16.447 ( 0.000 -1.450 0.000) 1.450 18.787 ( 0.000 17.524 0.000) 17.524 19.566 ( 0.000 -18.722 0.000) 18.722 20.445 ( 0.000 8.978 0.000) 8.978 20.875 ( 0.000 -10.310 0.000) 10.310 21.781 ( 0.000 11.362 0.000) 11.362 22.057 ( 0.000 15.495 0.000) 15.495 22.190 ( 0.000 -8.137 0.000) 8.137 22.548 ( 0.000 1.689 0.000) 1.689 22.613 ( 0.000 -6.112 0.000) 6.112 22.788 ( 0.000 -12.102 0.000) 12.102 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 11.427 20.499 0.000) 23.469 1.940 ( 4.132 26.681 0.000) 26.999 2.269 ( -1.418 9.058 0.000) 9.168 2.593 ( -1.145 -1.296 0.000) 1.729 2.633 ( 7.619 24.294 0.000) 25.461 2.671 ( -13.397 6.597 0.000) 14.933 2.839 ( -11.416 -3.194 0.000) 11.854 2.991 ( 5.590 -5.351 0.000) 7.738 3.170 ( 1.050 1.894 0.000) 2.166 3.328 ( -1.071 -19.475 0.000) 19.504 3.584 ( 4.243 -19.875 0.000) 20.323 3.787 ( 0.046 -9.057 0.000) 9.057 4.150 ( 0.873 22.576 0.000) 22.593 4.310 ( -2.188 21.733 0.000) 21.843 5.069 ( -0.329 -11.080 0.000) 11.085 5.179 ( -2.066 -12.811 0.000) 12.977 5.443 ( -1.413 4.455 0.000) 4.673 5.570 ( -2.826 2.590 0.000) 3.833 5.576 ( 4.810 -1.131 0.000) 4.941 5.680 ( 4.527 12.445 0.000) 13.242 5.721 ( 2.571 -6.414 0.000) 6.910 5.848 ( 3.878 1.254 0.000) 4.076 6.038 ( -9.940 9.993 0.000) 14.095 6.233 ( -6.936 -0.815 0.000) 6.984 6.520 ( 4.845 10.860 0.000) 11.891 6.539 ( 2.583 4.898 0.000) 5.538 6.762 ( 6.752 1.573 0.000) 6.932 7.015 ( -2.487 -5.129 0.000) 5.700 7.066 ( -7.476 0.819 0.000) 7.521 7.139 ( -6.428 13.878 0.000) 15.294 7.567 ( -2.025 -2.471 0.000) 3.194 7.673 ( -3.257 4.067 0.000) 5.210 7.798 ( 7.139 3.452 0.000) 7.929 7.922 ( 10.377 -2.512 0.000) 10.677 8.002 ( -3.537 1.355 0.000) 3.787 8.547 ( -2.073 -7.711 0.000) 7.985 8.912 ( 3.906 2.595 0.000) 4.689 8.948 ( 1.098 1.295 0.000) 1.698 9.032 ( 3.451 1.835 0.000) 3.909 9.205 ( 0.317 -8.089 0.000) 8.096 10.095 ( -7.628 9.588 0.000) 12.253 10.123 ( -6.235 -0.283 0.000) 6.241 10.280 ( -0.400 -1.885 0.000) 1.927 10.296 ( -5.740 -8.137 0.000) 9.958 10.569 ( 3.017 9.822 0.000) 10.274 10.681 ( 1.634 7.762 0.000) 7.932 10.750 ( 4.426 7.134 0.000) 8.395 10.780 ( 0.873 -1.369 0.000) 1.624 10.837 ( 5.657 -3.792 0.000) 6.810 11.154 ( -2.872 1.579 0.000) 3.277 11.342 ( 4.969 -20.548 0.000) 21.140 11.451 ( 4.612 -8.231 0.000) 9.435 11.726 ( -3.028 7.358 0.000) 7.957 11.726 ( 2.808 1.568 0.000) 3.216 11.834 ( 0.095 3.232 0.000) 3.233 11.975 ( -1.764 -6.487 0.000) 6.722 11.978 ( 0.023 -4.119 0.000) 4.119 12.140 ( -1.422 5.150 0.000) 5.343 12.273 ( -0.314 6.046 0.000) 6.054 12.305 ( -2.097 -11.022 0.000) 11.220 12.552 ( -1.565 6.808 0.000) 6.986 12.869 ( -10.154 12.010 0.000) 15.727 13.367 ( 0.037 -21.478 0.000) 21.478 13.453 ( -5.386 -11.698 0.000) 12.878 13.924 ( -2.298 2.852 0.000) 3.663 13.970 ( -0.316 -2.714 0.000) 2.733 14.041 ( 6.475 -3.083 0.000) 7.172 14.087 ( 4.152 -3.877 0.000) 5.680 15.621 ( 26.461 15.671 0.000) 30.753 16.014 ( 22.349 1.191 0.000) 22.380 16.346 ( -0.628 2.875 0.000) 2.943 16.384 ( 0.619 -0.565 0.000) 0.838 16.440 ( -0.723 -1.145 0.000) 1.354 16.453 ( 3.275 -4.548 0.000) 5.604 18.296 ( -42.846 14.047 0.000) 45.090 18.814 ( -59.266 -7.197 0.000) 59.701 20.776 ( 27.959 12.927 0.000) 30.803 21.338 ( 27.852 -10.215 0.000) 29.666 21.967 ( -9.325 15.357 0.000) 17.966 21.972 ( 20.197 0.190 0.000) 20.198 22.240 ( 5.071 -7.295 0.000) 8.884 22.382 ( -13.372 0.174 0.000) 13.373 22.606 ( -2.938 -2.947 0.000) 4.161 22.807 ( -0.111 -14.596 0.000) 14.597 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 15.761 15.165 0.000) 21.872 2.022 ( 2.474 23.017 0.000) 23.150 2.235 ( -1.307 17.922 0.000) 17.970 2.365 ( -16.119 11.885 0.000) 20.027 2.583 ( 1.322 -6.854 0.000) 6.981 2.662 ( -6.939 -5.922 0.000) 9.122 2.827 ( 11.367 23.155 0.000) 25.794 3.010 ( -5.871 15.719 0.000) 16.780 3.192 ( 3.979 -17.810 0.000) 18.249 3.280 ( -4.016 -20.658 0.000) 21.045 3.680 ( 5.251 -17.400 0.000) 18.175 3.762 ( -2.935 -13.927 0.000) 14.233 4.188 ( 3.046 24.005 0.000) 24.197 4.254 ( -3.536 22.974 0.000) 23.244 5.078 ( 1.588 -12.325 0.000) 12.427 5.126 ( -3.116 -13.296 0.000) 13.656 5.454 ( 2.323 4.973 0.000) 5.488 5.511 ( -3.241 3.341 0.000) 4.655 5.690 ( 7.070 -0.147 0.000) 7.072 5.747 ( 2.195 6.037 0.000) 6.423 5.758 ( 0.924 -2.045 0.000) 2.244 5.846 ( -9.409 6.309 0.000) 11.328 5.950 ( 6.591 0.004 0.000) 6.591 6.089 ( -7.815 -1.928 0.000) 8.049 6.583 ( 2.646 13.369 0.000) 13.629 6.593 ( 2.152 8.904 0.000) 9.161 6.897 ( -0.882 8.198 0.000) 8.245 6.904 ( -5.278 8.461 0.000) 9.972 6.970 ( 5.054 -3.116 0.000) 5.937 7.081 ( -2.858 0.165 0.000) 2.863 7.518 ( -1.982 -10.933 0.000) 11.111 7.553 ( -6.155 -10.944 0.000) 12.556 7.914 ( 5.009 8.844 0.000) 10.163 7.973 ( -1.230 11.660 0.000) 11.725 8.181 ( 14.595 0.960 0.000) 14.627 8.427 ( -10.338 -0.782 0.000) 10.367 8.961 ( 1.254 0.549 0.000) 1.369 8.967 ( 0.553 1.006 0.000) 1.148 9.137 ( 5.764 -3.700 0.000) 6.850 9.203 ( -1.159 -7.944 0.000) 8.028 9.971 ( -3.719 8.263 0.000) 9.061 9.991 ( -5.523 3.502 0.000) 6.540 10.248 ( 0.097 -7.534 0.000) 7.534 10.266 ( -1.111 -5.061 0.000) 5.182 10.629 ( 3.127 7.498 0.000) 8.124 10.682 ( -1.829 5.344 0.000) 5.648 10.777 ( 0.198 4.984 0.000) 4.988 10.779 ( -0.318 2.201 0.000) 2.224 10.998 ( 8.537 -0.112 0.000) 8.537 11.112 ( -3.112 3.257 0.000) 4.505 11.453 ( 5.188 -16.134 0.000) 16.947 11.492 ( 0.265 -7.081 0.000) 7.086 11.678 ( -0.511 3.426 0.000) 3.464 11.743 ( -5.036 -7.613 0.000) 9.128 11.849 ( 5.364 -0.866 0.000) 5.433 11.948 ( -3.621 -3.541 0.000) 5.065 12.002 ( 4.493 3.122 0.000) 5.471 12.092 ( -3.894 3.590 0.000) 5.297 12.268 ( -0.239 -0.661 0.000) 0.703 12.273 ( -0.987 -6.095 0.000) 6.174 12.549 ( 2.596 11.031 0.000) 11.332 12.669 ( -9.469 12.032 0.000) 15.311 13.367 ( 0.059 -19.956 0.000) 19.956 13.382 ( -1.970 -16.468 0.000) 16.586 13.905 ( 0.337 3.952 0.000) 3.966 13.930 ( -2.109 2.005 0.000) 2.910 14.150 ( 2.899 -5.525 0.000) 6.240 14.152 ( 2.182 -5.852 0.000) 6.246 16.159 ( 20.769 12.214 0.000) 24.094 16.322 ( -2.504 4.007 0.000) 4.725 16.386 ( 2.388 2.391 0.000) 3.379 16.419 ( -1.431 -0.089 0.000) 1.434 16.608 ( 29.121 1.871 0.000) 29.181 16.706 ( 38.294 -2.036 0.000) 38.348 17.391 ( -48.726 9.653 0.000) 49.673 17.669 ( -57.839 1.070 0.000) 57.849 21.303 ( 25.355 14.937 0.000) 29.428 21.711 ( -17.496 15.304 0.000) 23.245 21.752 ( 18.382 0.307 0.000) 18.385 22.088 ( -16.987 1.547 0.000) 17.058 22.366 ( 7.907 -5.514 0.000) 9.640 22.420 ( 21.748 -16.230 0.000) 27.137 22.510 ( -6.784 -3.354 0.000) 7.568 22.723 ( -9.734 -17.973 0.000) 20.440 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 -22.307 0.000) 22.307 1.976 ( 0.000 22.307 0.000) 22.307 2.429 ( 0.000 -23.716 0.000) 23.716 2.429 ( 0.000 23.716 0.000) 23.716 2.917 ( 0.000 -20.638 0.000) 20.638 2.917 ( 0.000 20.638 0.000) 20.638 2.944 ( 0.000 -2.150 0.000) 2.150 2.944 ( 0.000 2.150 0.000) 2.150 3.090 ( 0.000 -23.035 0.000) 23.035 3.090 ( 0.000 23.035 0.000) 23.035 3.479 ( 0.000 -19.006 0.000) 19.006 3.479 ( 0.000 19.006 0.000) 19.006 4.718 ( 0.000 -29.009 0.000) 29.009 4.718 ( 0.000 29.009 0.000) 29.009 4.758 ( 0.000 -18.787 0.000) 18.787 4.758 ( 0.000 18.787 0.000) 18.787 5.494 ( 0.000 -0.699 0.000) 0.699 5.494 ( 0.000 0.699 0.000) 0.699 5.627 ( 0.000 -0.942 0.000) 0.942 5.627 ( 0.000 0.942 0.000) 0.942 5.831 ( 0.000 -2.052 0.000) 2.052 5.831 ( 0.000 2.052 0.000) 2.052 6.290 ( 0.000 -3.722 0.000) 3.722 6.290 ( 0.000 3.722 0.000) 3.722 6.620 ( 0.000 -5.886 0.000) 5.886 6.620 ( 0.000 5.886 0.000) 5.886 6.725 ( 0.000 -15.023 0.000) 15.023 6.725 ( 0.000 15.023 0.000) 15.023 7.397 ( 0.000 -18.332 0.000) 18.332 7.397 ( 0.000 18.332 0.000) 18.332 7.615 ( 0.000 -15.939 0.000) 15.939 7.615 ( 0.000 15.939 0.000) 15.939 7.760 ( 0.000 -0.931 0.000) 0.931 7.760 ( 0.000 0.931 0.000) 0.931 8.221 ( 0.000 -16.602 0.000) 16.602 8.221 ( 0.000 16.602 0.000) 16.602 8.998 ( 0.000 -3.766 0.000) 3.766 8.998 ( 0.000 3.766 0.000) 3.766 9.024 ( 0.000 -7.360 0.000) 7.360 9.024 ( 0.000 7.360 0.000) 7.360 10.222 ( 0.000 -5.383 0.000) 5.383 10.222 ( 0.000 5.383 0.000) 5.383 10.286 ( 0.000 -0.830 0.000) 0.830 10.286 ( 0.000 0.830 0.000) 0.830 10.695 ( 0.000 -4.384 0.000) 4.384 10.695 ( 0.000 4.384 0.000) 4.384 10.759 ( 0.000 -0.805 0.000) 0.805 10.759 ( 0.000 0.805 0.000) 0.805 10.911 ( 0.000 -13.827 0.000) 13.827 10.911 ( 0.000 13.827 0.000) 13.827 11.229 ( 0.000 -4.588 0.000) 4.588 11.229 ( 0.000 4.588 0.000) 4.588 11.821 ( 0.000 -6.989 0.000) 6.989 11.821 ( 0.000 6.989 0.000) 6.989 11.887 ( 0.000 -4.982 0.000) 4.982 11.887 ( 0.000 4.982 0.000) 4.982 12.039 ( 0.000 -13.349 0.000) 13.349 12.039 ( 0.000 13.349 0.000) 13.349 12.272 ( 0.000 -5.129 0.000) 5.129 12.272 ( 0.000 5.129 0.000) 5.129 12.900 ( 0.000 -21.809 0.000) 21.809 12.900 ( 0.000 21.809 0.000) 21.809 13.264 ( 0.000 -14.221 0.000) 14.221 13.264 ( 0.000 14.221 0.000) 14.221 13.922 ( 0.000 -2.742 0.000) 2.742 13.922 ( 0.000 2.742 0.000) 2.742 13.991 ( 0.000 -1.423 0.000) 1.423 13.991 ( 0.000 1.423 0.000) 1.423 15.657 ( 0.000 -11.646 0.000) 11.646 15.657 ( 0.000 11.646 0.000) 11.646 16.381 ( 0.000 -0.644 0.000) 0.644 16.381 ( 0.000 0.644 0.000) 0.644 16.406 ( 0.000 -2.366 0.000) 2.366 16.406 ( 0.000 2.366 0.000) 2.366 19.170 ( 0.000 -18.980 0.000) 18.980 19.170 ( 0.000 18.980 0.000) 18.980 20.653 ( 0.000 -10.639 0.000) 10.639 20.653 ( 0.000 10.639 0.000) 10.639 22.002 ( 0.000 -9.869 0.000) 9.869 22.002 ( 0.000 9.869 0.000) 9.869 22.381 ( 0.000 -14.869 0.000) 14.869 22.381 ( 0.000 14.869 0.000) 14.869 22.619 ( 0.000 -4.974 0.000) 4.974 22.619 ( 0.000 4.974 0.000) 4.974 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 5.561 -19.754 0.000) 20.522 2.028 ( 5.561 19.754 0.000) 20.522 2.447 ( 0.919 -21.162 0.000) 21.182 2.447 ( 0.919 21.162 0.000) 21.182 2.852 ( -7.775 -3.481 0.000) 8.518 2.852 ( -7.775 3.481 0.000) 8.518 2.893 ( -2.463 -21.207 0.000) 21.350 2.893 ( -2.463 21.207 0.000) 21.350 3.152 ( 5.974 -22.187 0.000) 22.977 3.152 ( 5.974 22.187 0.000) 22.977 3.478 ( -0.898 -17.872 0.000) 17.895 3.478 ( -0.898 17.872 0.000) 17.895 4.714 ( -0.346 -27.775 0.000) 27.777 4.714 ( -0.346 27.775 0.000) 27.777 4.744 ( -1.282 -19.114 0.000) 19.157 4.744 ( -1.282 19.114 0.000) 19.157 5.507 ( 1.484 -2.906 0.000) 3.263 5.507 ( 1.484 2.906 0.000) 3.263 5.624 ( -0.508 -3.510 0.000) 3.547 5.624 ( -0.508 3.510 0.000) 3.547 5.861 ( 2.809 -2.336 0.000) 3.654 5.861 ( 2.809 2.336 0.000) 3.654 6.183 ( -8.547 -3.948 0.000) 9.415 6.183 ( -8.547 3.948 0.000) 9.415 6.709 ( 7.106 -6.197 0.000) 9.429 6.709 ( 7.106 6.197 0.000) 9.429 6.757 ( 3.191 -14.500 0.000) 14.847 6.757 ( 3.191 14.500 0.000) 14.847 7.304 ( -7.320 -18.026 0.000) 19.455 7.304 ( -7.320 18.026 0.000) 19.455 7.481 ( -11.646 -15.776 0.000) 19.609 7.481 ( -11.646 15.776 0.000) 19.609 7.897 ( 11.656 -3.156 0.000) 12.076 7.897 ( 11.656 3.156 0.000) 12.076 8.275 ( 3.349 -16.654 0.000) 16.987 8.275 ( 3.349 16.654 0.000) 16.987 9.010 ( 1.155 -4.138 0.000) 4.296 9.010 ( 1.155 4.138 0.000) 4.296 9.027 ( 0.254 -6.919 0.000) 6.923 9.027 ( 0.254 6.919 0.000) 6.923 10.156 ( -5.070 -4.278 0.000) 6.634 10.156 ( -5.070 4.278 0.000) 6.634 10.234 ( -4.829 -3.798 0.000) 6.144 10.234 ( -4.829 3.798 0.000) 6.144 10.740 ( 2.898 -6.091 0.000) 6.745 10.740 ( 2.898 6.091 0.000) 6.745 10.764 ( 0.448 -1.219 0.000) 1.299 10.764 ( 0.448 1.219 0.000) 1.299 10.970 ( 6.414 -14.344 0.000) 15.712 10.970 ( 6.414 14.344 0.000) 15.712 11.264 ( 2.735 -8.399 0.000) 8.834 11.264 ( 2.735 8.399 0.000) 8.834 11.781 ( -3.292 -4.909 0.000) 5.910 11.781 ( -3.292 4.909 0.000) 5.910 11.867 ( -2.191 -6.138 0.000) 6.517 11.867 ( -2.191 6.138 0.000) 6.517 12.075 ( 3.104 -10.715 0.000) 11.155 12.075 ( 3.104 10.715 0.000) 11.155 12.251 ( -2.079 -4.820 0.000) 5.249 12.251 ( -2.079 4.820 0.000) 5.249 12.899 ( 0.107 -22.100 0.000) 22.100 12.899 ( 0.107 22.100 0.000) 22.100 13.153 ( -9.160 -15.026 0.000) 17.598 13.153 ( -9.160 15.026 0.000) 17.598 13.977 ( 3.873 -2.512 0.000) 4.616 13.977 ( 3.873 2.512 0.000) 4.616 14.000 ( 0.893 -4.189 0.000) 4.283 14.000 ( 0.893 4.189 0.000) 4.283 15.909 ( 25.528 -10.734 0.000) 27.693 15.909 ( 25.528 10.734 0.000) 27.693 16.391 ( 1.280 -1.567 0.000) 2.024 16.391 ( 1.280 1.567 0.000) 2.024 16.402 ( -0.415 -2.355 0.000) 2.392 16.402 ( -0.415 2.355 0.000) 2.392 18.588 ( -48.890 -13.297 0.000) 50.666 18.588 ( -48.890 13.297 0.000) 50.666 21.062 ( 31.165 -14.305 0.000) 34.291 21.062 ( 31.165 14.305 0.000) 34.291 22.081 ( 7.980 -7.607 0.000) 11.024 22.081 ( 7.980 7.607 0.000) 11.024 22.271 ( -10.557 -12.174 0.000) 16.114 22.271 ( -10.557 12.174 0.000) 16.114 22.601 ( -2.832 -4.421 0.000) 5.250 22.601 ( -2.832 4.421 0.000) 5.250 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 10.505 -13.672 0.000) 17.242 2.184 ( 10.505 13.672 0.000) 17.242 2.386 ( -8.649 -10.934 0.000) 13.941 2.386 ( -8.649 10.934 0.000) 13.941 2.764 ( 0.577 -17.492 0.000) 17.501 2.764 ( 0.577 17.492 0.000) 17.501 2.827 ( -4.232 -21.990 0.000) 22.394 2.827 ( -4.232 21.990 0.000) 22.394 3.291 ( 7.854 -20.331 0.000) 21.795 3.291 ( 7.854 20.331 0.000) 21.795 3.421 ( -5.234 -18.214 0.000) 18.951 3.421 ( -5.234 18.214 0.000) 18.951 4.709 ( 0.025 -24.409 0.000) 24.409 4.709 ( 0.025 24.409 0.000) 24.409 4.719 ( -1.067 -20.838 0.000) 20.865 4.719 ( -1.067 20.838 0.000) 20.865 5.551 ( 2.869 -5.213 0.000) 5.950 5.551 ( 2.869 5.213 0.000) 5.950 5.601 ( -2.048 -5.676 0.000) 6.034 5.601 ( -2.048 5.676 0.000) 6.034 5.928 ( 4.260 -3.973 0.000) 5.826 5.928 ( 4.260 3.973 0.000) 5.826 6.031 ( -6.818 -5.064 0.000) 8.493 6.031 ( -6.818 5.064 0.000) 8.493 6.831 ( 3.698 -12.213 0.000) 12.760 6.831 ( 3.698 12.213 0.000) 12.760 6.833 ( 4.469 -9.633 0.000) 10.619 6.833 ( 4.469 9.633 0.000) 10.619 7.189 ( -2.873 -17.956 0.000) 18.184 7.189 ( -2.873 17.956 0.000) 18.184 7.260 ( -9.662 -14.763 0.000) 17.644 7.260 ( -9.662 14.763 0.000) 17.644 8.126 ( 11.113 -7.778 0.000) 13.564 8.126 ( 11.113 7.778 0.000) 13.564 8.277 ( -3.988 -13.411 0.000) 13.991 8.277 ( -3.988 13.411 0.000) 13.991 9.030 ( 0.627 -5.824 0.000) 5.858 9.030 ( 0.627 5.824 0.000) 5.858 9.032 ( 0.224 -6.399 0.000) 6.403 9.032 ( 0.224 6.399 0.000) 6.403 10.093 ( -0.633 -6.527 0.000) 6.557 10.093 ( -0.633 6.527 0.000) 6.557 10.136 ( -4.556 -7.267 0.000) 8.577 10.136 ( -4.556 7.267 0.000) 8.577 10.771 ( 0.589 -4.830 0.000) 4.866 10.771 ( 0.589 4.830 0.000) 4.866 10.772 ( 0.310 -2.983 0.000) 2.999 10.772 ( 0.310 2.983 0.000) 2.999 11.133 ( 9.378 -12.373 0.000) 15.525 11.133 ( 9.378 12.373 0.000) 15.525 11.270 ( -3.631 -10.927 0.000) 11.515 11.270 ( -3.631 10.927 0.000) 11.515 11.748 ( 0.980 -4.965 0.000) 5.061 11.748 ( 0.980 4.965 0.000) 5.061 11.806 ( -3.929 -7.387 0.000) 8.366 11.806 ( -3.929 7.387 0.000) 8.366 12.139 ( 3.393 -6.976 0.000) 7.758 12.139 ( 3.393 6.976 0.000) 7.758 12.200 ( -3.062 -4.839 0.000) 5.726 12.200 ( -3.062 4.839 0.000) 5.726 12.916 ( 2.077 -21.593 0.000) 21.693 12.916 ( 2.077 21.593 0.000) 21.693 12.994 ( -6.475 -18.549 0.000) 19.647 12.994 ( -6.475 18.549 0.000) 19.647 14.020 ( 0.933 -6.394 0.000) 6.462 14.020 ( 0.933 6.394 0.000) 6.462 14.023 ( 0.884 -5.961 0.000) 6.026 14.023 ( 0.884 5.961 0.000) 6.026 16.356 ( 4.980 -5.714 0.000) 7.580 16.356 ( 4.980 5.714 0.000) 7.580 16.390 ( -0.869 -2.488 0.000) 2.635 16.390 ( -0.869 2.488 0.000) 2.635 16.650 ( 40.784 -2.733 0.000) 40.875 16.650 ( 40.784 2.733 0.000) 40.875 17.584 ( -53.532 -7.836 0.000) 54.102 17.584 ( -53.532 7.836 0.000) 54.102 21.609 ( 24.849 -13.064 0.000) 28.074 21.609 ( 24.849 13.064 0.000) 28.074 22.005 ( -17.269 -10.891 0.000) 20.416 22.005 ( -17.269 10.891 0.000) 20.416 22.280 ( 11.982 -1.710 0.000) 12.103 22.280 ( 11.982 1.710 0.000) 12.103 22.489 ( -8.946 -3.715 0.000) 9.687 22.489 ( -8.946 3.715 0.000) 9.687 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 0.000 0.000 20.606) 20.606 0.594 ( 0.000 0.000 29.962) 29.962 0.880 ( 0.000 0.000 42.970) 42.970 1.580 ( 0.000 0.000 16.990) 16.990 1.630 ( 0.000 0.000 7.946) 7.946 2.765 ( 0.000 0.000 2.267) 2.267 3.136 ( 0.000 0.000 -10.829) 10.829 3.175 ( 0.000 0.000 -3.265) 3.265 3.272 ( 0.000 0.000 3.270) 3.270 3.452 ( 0.000 0.000 4.604) 4.604 3.901 ( 0.000 0.000 -1.633) 1.633 4.127 ( 0.000 0.000 -4.605) 4.605 4.216 ( 0.000 0.000 4.075) 4.075 4.276 ( 0.000 0.000 -3.748) 3.748 4.325 ( 0.000 0.000 -6.407) 6.407 4.693 ( 0.000 0.000 -5.674) 5.674 5.012 ( 0.000 0.000 10.175) 10.175 5.112 ( 0.000 0.000 1.311) 1.311 5.464 ( 0.000 0.000 1.433) 1.433 5.488 ( 0.000 0.000 0.873) 0.873 5.746 ( 0.000 0.000 -8.832) 8.832 5.887 ( 0.000 0.000 5.209) 5.209 5.967 ( 0.000 0.000 0.141) 0.141 6.012 ( 0.000 0.000 1.862) 1.862 6.197 ( 0.000 0.000 8.030) 8.030 6.415 ( 0.000 0.000 -2.329) 2.329 6.582 ( 0.000 0.000 -11.762) 11.762 6.832 ( 0.000 0.000 -5.553) 5.553 6.837 ( 0.000 0.000 3.025) 3.025 7.119 ( 0.000 0.000 -4.053) 4.053 7.233 ( 0.000 0.000 -0.389) 0.389 7.923 ( 0.000 0.000 0.005) 0.005 7.951 ( 0.000 0.000 0.484) 0.484 8.048 ( 0.000 0.000 -7.338) 7.338 8.567 ( 0.000 0.000 -1.586) 1.586 8.617 ( 0.000 0.000 -7.033) 7.033 8.937 ( 0.000 0.000 -6.913) 6.913 8.982 ( 0.000 0.000 18.653) 18.653 9.161 ( 0.000 0.000 10.240) 10.240 9.424 ( 0.000 0.000 -0.029) 0.029 9.523 ( 0.000 0.000 -10.619) 10.619 9.899 ( 0.000 0.000 14.982) 14.982 10.021 ( 0.000 0.000 7.953) 7.953 10.257 ( 0.000 0.000 -11.218) 11.218 10.417 ( 0.000 0.000 -2.370) 2.370 10.734 ( 0.000 0.000 -15.115) 15.115 10.824 ( 0.000 0.000 -4.541) 4.541 10.860 ( 0.000 0.000 -2.398) 2.398 11.003 ( 0.000 0.000 10.479) 10.479 11.139 ( 0.000 0.000 -13.233) 13.233 11.147 ( 0.000 0.000 -2.178) 2.178 11.416 ( 0.000 0.000 -2.169) 2.169 11.685 ( 0.000 0.000 7.137) 7.137 11.902 ( 0.000 0.000 -2.204) 2.204 11.931 ( 0.000 0.000 -2.592) 2.592 12.082 ( 0.000 0.000 5.006) 5.006 12.445 ( 0.000 0.000 0.060) 0.060 12.485 ( 0.000 0.000 -3.070) 3.070 12.520 ( 0.000 0.000 -0.022) 0.022 12.622 ( 0.000 0.000 0.275) 0.275 12.633 ( 0.000 0.000 10.259) 10.259 13.211 ( 0.000 0.000 -11.742) 11.742 13.216 ( 0.000 0.000 -2.816) 2.816 13.362 ( 0.000 0.000 0.468) 0.468 13.896 ( 0.000 0.000 -1.103) 1.103 13.922 ( 0.000 0.000 -1.054) 1.054 14.017 ( 0.000 0.000 -2.159) 2.159 14.219 ( 0.000 0.000 3.138) 3.138 14.552 ( 0.000 0.000 9.032) 9.032 15.671 ( 0.000 0.000 -1.622) 1.622 16.254 ( 0.000 0.000 2.791) 2.791 16.345 ( 0.000 0.000 -3.472) 3.472 16.451 ( 0.000 0.000 7.059) 7.059 16.470 ( 0.000 0.000 1.334) 1.334 18.214 ( 0.000 0.000 6.189) 6.189 18.228 ( 0.000 0.000 -8.705) 8.705 20.128 ( 0.000 0.000 7.760) 7.760 21.156 ( 0.000 0.000 4.776) 4.776 21.276 ( 0.000 0.000 2.398) 2.398 22.473 ( 0.000 0.000 0.471) 0.471 22.592 ( 0.000 0.000 -0.307) 0.307 22.700 ( 0.000 0.000 -0.268) 0.268 23.259 ( 0.000 0.000 -10.007) 10.007 23.511 ( 0.000 0.000 -3.790) 3.790 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 13.245 0.000 23.754) 27.197 0.752 ( 17.535 0.000 21.206) 27.517 1.167 ( 31.912 0.000 24.955) 40.511 1.504 ( -7.444 0.000 17.664) 19.169 1.548 ( -8.362 0.000 8.815) 12.150 2.805 ( 4.008 0.000 2.227) 4.585 3.001 ( -15.953 0.000 -2.378) 16.129 3.158 ( 0.719 0.000 -7.936) 7.969 3.199 ( -6.732 0.000 2.871) 7.318 3.398 ( -4.819 0.000 3.316) 5.850 3.975 ( 6.762 0.000 -1.070) 6.846 4.170 ( 3.737 0.000 -4.443) 5.805 4.220 ( 0.170 0.000 3.468) 3.472 4.312 ( 3.713 0.000 -4.088) 5.522 4.335 ( -0.061 0.000 -6.519) 6.520 4.647 ( -4.570 0.000 -5.679) 7.290 5.054 ( 4.168 0.000 8.969) 9.890 5.119 ( 0.632 0.000 1.175) 1.334 5.323 ( -6.535 0.000 5.302) 8.416 5.358 ( -8.528 0.000 -0.773) 8.563 5.727 ( -0.311 0.000 -1.096) 1.140 5.889 ( -2.893 0.000 7.782) 8.302 6.110 ( 9.544 0.000 -3.650) 10.218 6.217 ( 2.904 0.000 5.575) 6.286 6.411 ( -0.799 0.000 -1.816) 1.984 6.437 ( 22.112 0.000 -19.825) 29.698 6.630 ( 5.357 0.000 -13.879) 14.877 6.810 ( 0.826 0.000 -8.001) 8.043 6.921 ( 6.891 0.000 2.734) 7.414 7.088 ( -3.625 0.000 -7.823) 8.622 7.141 ( -6.510 0.000 -2.146) 6.854 7.776 ( -12.770 0.000 -5.470) 13.893 7.967 ( 4.751 0.000 3.171) 5.712 8.162 ( 7.056 0.000 1.849) 7.294 8.525 ( -8.833 0.000 -0.425) 8.843 8.540 ( -3.172 0.000 9.493) 10.009 8.941 ( 0.462 0.000 -6.136) 6.154 8.982 ( -0.192 0.000 11.391) 11.392 9.045 ( -4.763 0.000 15.629) 16.338 9.388 ( -5.530 0.000 0.684) 5.572 9.591 ( 6.550 0.000 -8.966) 11.103 9.917 ( 1.696 0.000 14.237) 14.337 10.013 ( -0.857 0.000 8.557) 8.600 10.144 ( -9.781 0.000 -13.748) 16.872 10.445 ( 2.825 0.000 -2.120) 3.532 10.717 ( -6.042 0.000 -2.810) 6.663 10.749 ( 3.195 0.000 -4.771) 5.742 10.970 ( 6.280 0.000 -3.869) 7.377 11.055 ( 5.134 0.000 -7.005) 8.685 11.147 ( -0.162 0.000 -2.559) 2.564 11.187 ( 1.223 0.000 -5.867) 5.993 11.428 ( 1.266 0.000 -1.426) 1.906 11.623 ( -4.921 0.000 4.747) 6.837 11.748 ( -14.872 0.000 5.789) 15.959 11.982 ( 6.776 0.000 -0.337) 6.785 12.072 ( 7.427 0.000 2.403) 7.806 12.386 ( -5.040 0.000 -0.170) 5.043 12.505 ( 1.201 0.000 -2.445) 2.724 12.597 ( -3.453 0.000 9.854) 10.441 12.603 ( -1.767 0.000 -0.235) 1.782 12.715 ( 8.631 0.000 -12.530) 15.215 13.109 ( -7.343 0.000 -8.204) 11.010 13.237 ( 2.084 0.000 -2.350) 3.141 13.354 ( -0.896 0.000 0.214) 0.921 13.813 ( -4.048 0.000 -3.030) 5.056 13.924 ( 0.316 0.000 -1.340) 1.377 14.144 ( 2.389 0.000 -2.039) 3.141 14.203 ( 0.438 0.000 3.017) 3.048 14.901 ( 32.262 0.000 1.918) 32.319 15.683 ( 1.088 0.000 -0.589) 1.237 16.124 ( -11.331 0.000 7.890) 13.807 16.292 ( -5.663 0.000 5.047) 7.586 16.383 ( 3.641 0.000 0.931) 3.758 16.633 ( 7.397 0.000 1.835) 7.621 17.516 ( -37.441 0.000 26.703) 45.988 17.865 ( -32.445 0.000 8.242) 33.476 20.377 ( 21.994 0.000 7.165) 23.131 21.250 ( 8.498 0.000 2.746) 8.930 21.406 ( 2.009 0.000 2.146) 2.940 22.403 ( -17.531 0.000 -2.061) 17.652 22.499 ( 1.937 0.000 0.797) 2.095 22.680 ( -2.074 0.000 -0.131) 2.078 23.450 ( 15.256 0.000 -12.202) 19.535 23.791 ( 14.586 0.000 -28.062) 31.626 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 16.486 0.000 16.073) 23.025 1.033 ( 14.179 0.000 23.833) 27.732 1.294 ( -12.668 0.000 20.723) 24.288 1.329 ( -14.207 0.000 11.399) 18.215 1.892 ( 38.312 0.000 8.015) 39.141 2.555 ( -30.157 0.000 1.944) 30.219 2.909 ( 6.771 0.000 2.224) 7.127 3.053 ( -8.037 0.000 2.416) 8.392 3.202 ( 3.794 0.000 -4.532) 5.911 3.294 ( -5.581 0.000 -0.266) 5.587 4.112 ( 6.631 0.000 0.192) 6.634 4.202 ( -2.620 0.000 1.957) 3.270 4.247 ( 4.030 0.000 -4.636) 6.143 4.311 ( -2.441 0.000 -5.370) 5.899 4.409 ( 6.194 0.000 -4.996) 7.957 4.535 ( -6.731 0.000 -5.607) 8.761 5.141 ( 2.070 0.000 0.693) 2.183 5.149 ( 5.178 0.000 6.325) 8.175 5.214 ( -5.867 0.000 -0.379) 5.879 5.236 ( -3.964 0.000 4.395) 5.919 5.746 ( 2.275 0.000 3.710) 4.352 5.811 ( -4.353 0.000 6.678) 7.972 6.278 ( 7.006 0.000 -2.643) 7.488 6.316 ( 7.815 0.000 2.336) 8.157 6.373 ( -3.302 0.000 -1.722) 3.724 6.493 ( -8.902 0.000 -3.508) 9.569 6.783 ( 10.043 0.000 -16.404) 19.234 6.901 ( 5.739 0.000 -7.425) 9.385 6.970 ( -8.609 0.000 -14.158) 16.570 6.985 ( -2.998 0.000 -4.657) 5.539 7.215 ( 14.854 0.000 -9.547) 17.657 7.508 ( -15.084 0.000 -8.101) 17.122 8.107 ( 9.762 0.000 7.701) 12.434 8.299 ( 7.507 0.000 10.829) 13.177 8.319 ( -11.883 0.000 6.890) 13.736 8.441 ( -6.915 0.000 17.209) 18.546 8.954 ( 0.868 0.000 -3.553) 3.657 8.971 ( -0.836 0.000 2.013) 2.180 9.072 ( 6.547 0.000 7.400) 9.880 9.237 ( -9.440 0.000 3.602) 10.104 9.746 ( 9.542 0.000 -11.069) 14.614 9.942 ( -10.818 0.000 -13.988) 17.683 9.954 ( 2.032 0.000 12.329) 12.495 9.989 ( -1.605 0.000 10.177) 10.303 10.517 ( 4.492 0.000 -1.830) 4.851 10.610 ( -5.271 0.000 -2.066) 5.662 10.863 ( 8.117 0.000 -2.158) 8.399 11.024 ( -7.672 0.000 -5.650) 9.528 11.074 ( 4.334 0.000 -3.917) 5.841 11.131 ( -1.760 0.000 -3.345) 3.780 11.298 ( 10.327 0.000 -4.186) 11.143 11.466 ( 2.745 0.000 0.351) 2.767 11.507 ( -11.354 0.000 -1.359) 11.435 11.532 ( -4.264 0.000 2.436) 4.911 12.124 ( 7.787 0.000 0.449) 7.800 12.265 ( 11.399 0.000 -0.171) 11.400 12.268 ( -7.126 0.000 0.286) 7.132 12.470 ( -9.454 0.000 2.424) 9.760 12.529 ( 1.488 0.000 -1.983) 2.479 12.564 ( -2.108 0.000 -1.182) 2.417 12.843 ( 6.332 0.000 -6.650) 9.182 12.973 ( -7.106 0.000 -4.980) 8.677 13.284 ( 2.552 0.000 -1.394) 2.908 13.327 ( -1.873 0.000 -0.462) 1.929 13.804 ( 2.731 0.000 -4.659) 5.401 13.881 ( -4.235 0.000 -3.385) 5.422 14.168 ( 1.586 0.000 2.989) 3.384 14.199 ( -1.313 0.000 4.197) 4.398 15.501 ( 23.216 0.000 -4.636) 23.675 15.693 ( -1.594 0.000 0.803) 1.785 16.011 ( 3.419 0.000 7.030) 7.817 16.177 ( -7.970 0.000 0.789) 8.008 16.514 ( 11.848 0.000 6.272) 13.406 16.727 ( -0.630 0.000 3.389) 3.447 17.079 ( -11.125 0.000 18.525) 21.609 17.220 ( -27.801 0.000 10.954) 29.881 20.817 ( 22.286 0.000 6.620) 23.248 21.179 ( -14.738 0.000 4.666) 15.459 21.608 ( 19.123 0.000 4.445) 19.633 22.011 ( -22.017 0.000 1.520) 22.069 22.556 ( 3.609 0.000 0.441) 3.636 22.626 ( -3.488 0.000 0.135) 3.491 23.723 ( 12.259 0.000 -16.976) 20.940 23.882 ( -3.408 0.000 -24.239) 24.478 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 17.933 12.707) 21.979 0.795 ( 0.000 21.248 16.079) 26.646 1.351 ( 0.000 33.383 30.533) 45.240 1.589 ( 0.000 8.414 4.116) 9.367 1.972 ( 0.000 22.902 15.135) 27.451 2.909 ( 0.000 11.879 1.608) 11.988 3.070 ( 0.000 -6.294 -9.771) 11.623 3.166 ( 0.000 -0.035 -2.488) 2.489 3.259 ( 0.000 -5.116 1.767) 5.413 3.593 ( 0.000 13.340 2.212) 13.522 3.744 ( 0.000 -16.217 -2.180) 16.363 3.897 ( 0.000 -7.680 2.639) 8.120 4.101 ( 0.000 -4.994 -11.881) 12.888 4.425 ( 0.000 -7.318 3.020) 7.917 4.637 ( 0.000 15.984 -2.767) 16.222 4.738 ( 0.000 22.697 0.382) 22.700 5.118 ( 0.000 6.981 4.610) 8.366 5.230 ( 0.000 7.073 -0.969) 7.139 5.374 ( 0.000 -2.906 2.463) 3.809 5.588 ( 0.000 10.426 0.665) 10.447 5.748 ( 0.000 -6.893 2.921) 7.486 5.877 ( 0.000 5.960 -4.994) 7.775 6.025 ( 0.000 3.237 -0.494) 3.274 6.074 ( 0.000 -9.184 6.047) 10.997 6.219 ( 0.000 14.782 2.593) 15.007 6.599 ( 0.000 13.352 -7.431) 15.281 6.648 ( 0.000 2.012 -9.564) 9.774 6.716 ( 0.000 -8.770 -1.757) 8.944 6.815 ( 0.000 -1.370 2.782) 3.101 7.218 ( 0.000 7.941 -14.289) 16.347 7.229 ( 0.000 -0.116 -0.546) 0.559 7.741 ( 0.000 -10.777 -0.414) 10.785 7.816 ( 0.000 -10.323 1.877) 10.492 8.006 ( 0.000 -7.763 0.928) 7.818 8.506 ( 0.000 5.211 5.122) 7.307 8.703 ( 0.000 6.619 -4.083) 7.777 8.719 ( 0.000 -15.711 15.753) 22.249 8.993 ( 0.000 3.201 -7.641) 8.284 9.133 ( 0.000 -1.223 13.047) 13.104 9.304 ( 0.000 -8.255 3.810) 9.092 9.615 ( 0.000 8.802 -6.591) 10.996 10.024 ( 0.000 10.186 8.030) 12.970 10.121 ( 0.000 8.580 6.798) 10.946 10.228 ( 0.000 -1.541 -11.047) 11.154 10.481 ( 0.000 2.820 -3.645) 4.609 10.630 ( 0.000 -9.201 -11.728) 14.907 10.754 ( 0.000 -8.133 -4.713) 9.400 10.837 ( 0.000 0.793 -2.659) 2.775 10.955 ( 0.000 -3.220 8.825) 9.394 11.175 ( 0.000 2.043 -9.463) 9.682 11.357 ( 0.000 11.339 -4.355) 12.146 11.437 ( 0.000 1.984 -3.823) 4.307 11.689 ( 0.000 -0.096 0.853) 0.859 11.851 ( 0.000 -7.349 5.588) 9.232 11.951 ( 0.000 2.047 3.343) 3.920 12.055 ( 0.000 -9.917 11.264) 15.007 12.075 ( 0.000 -0.755 5.245) 5.299 12.367 ( 0.000 -12.460 2.391) 12.687 12.417 ( 0.000 -7.143 -1.053) 7.220 12.517 ( 0.000 1.455 0.015) 1.455 12.732 ( 0.000 4.228 8.511) 9.503 12.790 ( 0.000 -12.703 -7.425) 14.714 13.421 ( 0.000 10.876 -2.311) 11.118 13.891 ( 0.000 -0.487 -1.200) 1.295 13.918 ( 0.000 -0.545 -0.624) 0.829 14.027 ( 0.000 2.940 -9.590) 10.030 14.030 ( 0.000 0.858 -1.795) 1.990 14.274 ( 0.000 4.498 -6.484) 7.891 14.692 ( 0.000 12.594 8.419) 15.148 15.702 ( 0.000 1.652 -3.787) 4.132 16.293 ( 0.000 1.792 2.989) 3.485 16.351 ( 0.000 0.470 -3.113) 3.148 16.475 ( 0.000 0.387 1.321) 1.376 16.568 ( 0.000 2.730 -0.323) 2.749 18.283 ( 0.000 6.517 5.005) 8.217 18.955 ( 0.000 39.276 -58.091) 70.123 20.181 ( 0.000 5.035 6.877) 8.523 21.197 ( 0.000 4.316 3.532) 5.577 21.229 ( 0.000 -4.422 2.482) 5.071 22.436 ( 0.000 -3.609 0.016) 3.609 22.463 ( 0.000 -12.712 10.849) 16.712 22.696 ( 0.000 -0.497 -0.520) 0.719 22.905 ( 0.000 -26.513 25.895) 37.061 23.183 ( 0.000 -6.885 -9.020) 11.347 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 8.693 18.182 14.256) 24.686 0.956 ( 24.267 12.877 10.909) 29.559 1.514 ( 9.135 23.800 19.300) 31.974 1.522 ( 1.940 13.761 10.137) 17.202 1.891 ( -8.130 22.942 15.583) 28.901 2.875 ( -5.540 2.589 0.156) 6.117 3.046 ( -7.891 5.572 -1.031) 9.715 3.089 ( -0.935 -5.905 -5.747) 8.293 3.228 ( -1.920 -0.457 0.625) 2.070 3.506 ( -6.905 12.386 1.131) 14.226 3.806 ( 4.982 -15.067 -1.494) 15.939 3.935 ( 2.841 -9.771 1.383) 10.269 4.150 ( 4.471 -3.887 -9.588) 11.271 4.411 ( -1.726 -7.547 1.680) 7.922 4.651 ( 1.355 17.107 -2.684) 17.370 4.737 ( -0.199 22.845 -0.052) 22.845 5.135 ( 1.952 5.780 4.514) 7.589 5.232 ( 0.148 7.492 -0.059) 7.494 5.301 ( -3.776 0.431 3.756) 5.343 5.469 ( -9.642 7.905 -0.562) 12.481 5.845 ( -0.117 9.360 -0.857) 9.400 5.907 ( 7.867 -4.457 -0.110) 9.043 6.108 ( 4.427 -9.022 4.281) 10.924 6.142 ( 4.515 5.258 -2.446) 7.349 6.265 ( 6.319 0.971 -0.900) 6.457 6.606 ( -0.685 10.390 -4.787) 11.460 6.668 ( 0.863 -5.047 -7.339) 8.949 6.675 ( -2.426 -7.108 -4.275) 8.642 6.872 ( 5.391 -2.916 2.299) 6.547 7.106 ( -3.892 6.549 -8.906) 11.720 7.288 ( 0.418 5.760 -13.240) 14.445 7.617 ( -7.716 -8.665 1.520) 11.701 7.931 ( 6.780 -6.642 0.382) 9.499 8.070 ( 6.076 -7.762 4.645) 10.897 8.491 ( -9.857 -2.968 13.199) 16.738 8.510 ( -1.577 2.473 1.508) 3.298 8.868 ( 5.137 -3.319 6.152) 8.675 9.028 ( 3.201 5.228 -6.512) 8.944 9.072 ( -5.000 -1.289 11.781) 12.863 9.288 ( -1.539 -5.097 0.972) 5.413 9.635 ( 2.052 4.610 -6.802) 8.470 9.987 ( -4.902 3.643 2.843) 6.737 10.140 ( 1.626 9.643 6.592) 11.794 10.183 ( -3.136 5.107 -6.969) 9.192 10.500 ( 1.745 3.273 -2.990) 4.764 10.624 ( -0.635 -7.920 -5.125) 9.455 10.688 ( -3.093 -5.544 -1.302) 6.481 10.860 ( 1.029 -4.299 -4.603) 6.382 11.040 ( 6.905 -4.120 1.621) 8.203 11.158 ( -0.315 3.058 -6.040) 6.777 11.349 ( -1.389 7.960 -3.675) 8.876 11.478 ( 3.283 4.328 -2.758) 6.092 11.592 ( -7.381 -2.445 -0.223) 7.778 11.793 ( -7.272 3.873 9.663) 12.699 11.964 ( 7.513 -1.946 -1.487) 7.902 12.071 ( 5.294 0.548 3.092) 6.155 12.262 ( 6.298 -13.919 3.053) 15.579 12.376 ( 0.279 -11.757 1.096) 11.811 12.432 ( 2.870 -9.878 1.264) 10.364 12.469 ( -4.419 -0.045 0.012) 4.419 12.669 ( -6.463 0.101 2.873) 7.073 12.758 ( -2.499 -10.331 -0.761) 10.657 13.446 ( 2.384 10.228 -1.822) 10.659 13.753 ( -9.948 3.687 -1.988) 10.794 13.904 ( 1.071 6.417 -5.143) 8.293 14.034 ( 1.232 5.137 -5.586) 7.688 14.153 ( 2.249 -0.028 -2.491) 3.356 14.169 ( -1.393 -2.179 2.288) 3.453 15.070 ( 30.771 11.319 0.454) 32.790 15.741 ( 4.489 4.430 -3.127) 7.040 16.237 ( -6.025 3.935 -1.207) 7.297 16.370 ( -7.532 5.280 0.644) 9.221 16.390 ( 3.615 0.664 1.496) 3.968 16.651 ( 5.993 -0.088 1.986) 6.314 17.889 ( -37.319 9.350 3.773) 38.657 18.050 ( -57.493 32.776 -1.864) 66.206 20.431 ( 22.467 5.162 6.672) 23.998 21.290 ( 8.045 4.001 1.368) 9.088 21.435 ( 5.229 2.429 -0.441) 5.783 22.367 ( -14.217 -3.292 -2.208) 14.759 22.467 ( 2.285 -3.085 0.551) 3.879 22.674 ( -2.301 -0.647 -0.344) 2.415 23.176 ( 25.178 -38.504 2.343) 46.065 23.342 ( 11.702 -11.424 -9.807) 19.069 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 12.161 13.896 10.595) 21.290 1.290 ( -2.077 11.311 11.095) 15.979 1.407 ( 8.476 18.514 12.334) 23.807 1.677 ( -13.571 22.510 16.459) 31.013 2.011 ( 30.495 12.315 10.117) 34.409 2.564 ( -25.374 1.827 2.158) 25.531 2.983 ( 1.332 1.099 1.018) 2.004 3.043 ( -4.117 -5.031 0.345) 6.510 3.255 ( 4.693 8.813 -2.415) 10.273 3.371 ( -6.923 11.586 -0.779) 13.520 3.903 ( 4.588 -14.511 -1.842) 15.330 3.959 ( -0.888 -12.900 -1.084) 12.976 4.253 ( 5.881 -3.858 -5.067) 8.668 4.354 ( -4.351 -6.291 -1.281) 7.755 4.685 ( 2.115 19.691 -1.997) 19.904 4.722 ( -1.471 22.134 -1.006) 22.205 5.193 ( 3.736 3.616 3.943) 6.525 5.241 ( 1.170 7.773 0.598) 7.883 5.250 ( -2.137 2.239 3.960) 5.026 5.310 ( -6.312 6.695 -0.448) 9.212 5.862 ( 2.125 9.970 1.902) 10.370 5.920 ( -3.307 8.169 3.222) 9.383 6.208 ( 5.957 -5.319 0.319) 7.992 6.284 ( 4.538 -9.535 -6.842) 12.582 6.334 ( 3.403 0.363 -1.173) 3.617 6.491 ( -9.150 -2.374 1.732) 9.610 6.659 ( 2.010 -4.099 -7.526) 8.802 6.694 ( -0.764 -6.305 -9.246) 11.217 6.989 ( 5.996 -3.776 -0.408) 7.098 7.080 ( -2.271 2.718 -5.128) 6.232 7.309 ( 5.174 6.326 -17.063) 18.919 7.464 ( -8.793 0.934 -6.663) 11.072 8.057 ( 6.709 -6.851 6.435) 11.548 8.159 ( -0.913 -9.348 11.086) 14.530 8.360 ( 0.680 0.804 7.631) 7.703 8.459 ( -5.326 3.178 8.525) 10.542 8.921 ( 1.702 -1.661 7.053) 7.444 8.968 ( -3.761 -0.658 8.556) 9.369 9.132 ( 5.998 4.251 -5.214) 9.013 9.236 ( -4.280 0.994 -2.148) 4.891 9.701 ( 5.334 -1.237 -7.597) 9.364 9.840 ( -8.809 -2.472 -6.198) 11.051 10.158 ( 0.353 11.633 4.471) 12.468 10.163 ( 0.221 10.649 3.948) 11.359 10.533 ( 1.986 1.611 -1.913) 3.194 10.583 ( -3.139 -3.079 -1.899) 4.790 10.721 ( 5.612 -8.233 -1.556) 10.085 10.832 ( -4.571 -8.379 -4.854) 10.708 11.147 ( 4.170 -1.241 0.871) 4.437 11.192 ( 1.140 0.697 -0.402) 1.395 11.337 ( 2.764 4.666 -6.330) 8.335 11.453 ( -7.139 -1.103 -6.837) 9.946 11.556 ( 4.722 7.246 1.225) 8.735 11.662 ( -6.368 8.327 4.312) 11.336 12.126 ( 8.033 -0.211 0.230) 8.039 12.205 ( 6.261 -4.027 2.092) 7.732 12.279 ( -1.299 -3.033 -2.851) 4.361 12.363 ( -1.090 -10.547 1.862) 10.765 12.394 ( -2.311 -9.337 0.087) 9.619 12.439 ( -6.448 -11.859 -5.019) 14.402 12.605 ( 3.618 -6.966 5.154) 9.390 12.695 ( -4.338 -10.301 3.624) 11.750 13.502 ( 3.584 8.725 -1.455) 9.544 13.594 ( -6.457 7.041 -1.636) 9.693 13.946 ( 3.052 8.945 -6.601) 11.528 14.008 ( -3.239 6.875 -4.851) 9.016 14.163 ( 3.357 -0.387 2.189) 4.026 14.211 ( -0.439 1.254 0.637) 1.474 15.624 ( 22.031 8.779 -4.775) 24.191 15.860 ( 1.474 14.648 -5.905) 15.862 16.094 ( -0.927 6.463 1.552) 6.712 16.235 ( -7.275 5.362 -0.105) 9.038 16.538 ( 14.624 2.380 6.559) 16.203 16.766 ( 3.652 2.364 2.773) 5.160 17.192 ( -25.074 11.484 13.609) 30.754 17.238 ( -31.319 2.096 10.750) 33.179 20.878 ( 22.392 5.795 5.754) 23.835 21.235 ( -13.987 5.351 3.101) 15.293 21.636 ( 17.957 2.621 4.035) 18.590 22.015 ( -20.559 0.489 1.288) 20.605 22.532 ( 4.149 -2.288 0.194) 4.742 22.613 ( -3.988 -1.329 -0.077) 4.205 23.506 ( 8.032 -24.236 -14.558) 29.391 23.525 ( 5.808 -22.874 -13.765) 27.321 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 21.951 6.809) 22.982 1.332 ( 0.000 27.790 4.511) 28.154 1.883 ( 0.000 18.765 -2.597) 18.943 2.068 ( 0.000 32.813 19.623) 38.233 2.478 ( 0.000 22.045 11.084) 24.675 2.883 ( 0.000 -9.406 -2.740) 9.797 3.036 ( 0.000 -1.921 -1.216) 2.274 3.125 ( 0.000 -5.847 0.712) 5.890 3.241 ( 0.000 -1.732 2.229) 2.823 3.447 ( 0.000 -7.809 -8.912) 11.849 3.710 ( 0.000 -4.665 -1.096) 4.792 3.940 ( 0.000 19.129 2.947) 19.355 3.965 ( 0.000 -10.287 1.011) 10.337 4.202 ( 0.000 -9.204 6.636) 11.347 5.062 ( 0.000 20.548 -1.204) 20.583 5.195 ( 0.000 8.699 -1.326) 8.799 5.291 ( 0.000 0.113 2.710) 2.712 5.313 ( 0.000 19.774 0.563) 19.782 5.440 ( 0.000 5.806 -0.025) 5.806 5.618 ( 0.000 -5.188 2.424) 5.726 5.842 ( 0.000 13.823 -0.215) 13.824 5.863 ( 0.000 -6.214 1.362) 6.362 5.911 ( 0.000 -8.494 -2.685) 8.908 6.147 ( 0.000 8.622 -0.572) 8.641 6.459 ( 0.000 4.979 -0.279) 4.986 6.488 ( 0.000 -7.926 0.697) 7.957 6.676 ( 0.000 1.185 -6.214) 6.326 6.880 ( 0.000 10.711 1.246) 10.783 6.956 ( 0.000 16.083 -4.210) 16.625 7.218 ( 0.000 -1.875 0.314) 1.901 7.339 ( 0.000 2.648 -14.447) 14.687 7.581 ( 0.000 -3.253 -0.425) 3.281 7.645 ( 0.000 -3.308 4.119) 5.283 7.882 ( 0.000 -2.705 0.756) 2.808 8.411 ( 0.000 -14.807 6.287) 16.086 8.686 ( 0.000 9.078 2.360) 9.380 8.797 ( 0.000 -1.866 0.301) 1.890 8.967 ( 0.000 -2.639 0.129) 2.643 9.072 ( 0.000 -3.690 8.717) 9.466 9.221 ( 0.000 -0.118 -3.281) 3.283 9.814 ( 0.000 8.989 -9.777) 13.281 10.203 ( 0.000 -0.598 -7.585) 7.609 10.249 ( 0.000 3.591 -1.648) 3.951 10.285 ( 0.000 7.982 -0.802) 8.022 10.472 ( 0.000 -1.249 -4.425) 4.598 10.548 ( 0.000 4.074 -0.184) 4.078 10.578 ( 0.000 -6.191 -2.736) 6.769 10.841 ( 0.000 -0.729 1.527) 1.692 10.877 ( 0.000 -3.814 5.617) 6.790 11.195 ( 0.000 -0.366 -5.484) 5.496 11.493 ( 0.000 2.606 -5.523) 6.107 11.560 ( 0.000 8.433 -3.586) 9.164 11.659 ( 0.000 -9.175 10.348) 13.830 11.663 ( 0.000 -2.246 -3.692) 4.322 11.871 ( 0.000 -13.053 5.580) 14.195 12.004 ( 0.000 -0.450 -2.742) 2.779 12.113 ( 0.000 1.857 7.191) 7.427 12.160 ( 0.000 1.402 5.092) 5.282 12.258 ( 0.000 -6.487 2.526) 6.961 12.535 ( 0.000 -11.952 -6.217) 13.472 12.567 ( 0.000 2.426 0.829) 2.563 12.849 ( 0.000 7.572 8.655) 11.499 13.594 ( 0.000 4.263 -0.651) 4.312 13.819 ( 0.000 -11.321 4.119) 12.047 13.878 ( 0.000 -0.583 -1.372) 1.491 13.978 ( 0.000 -1.188 0.395) 1.252 14.039 ( 0.000 -0.163 -0.976) 0.989 14.210 ( 0.000 -9.366 -3.908) 10.148 15.025 ( 0.000 18.088 7.098) 19.430 15.750 ( 0.000 2.992 -3.530) 4.628 16.333 ( 0.000 2.058 3.134) 3.749 16.359 ( 0.000 0.207 -2.530) 2.539 16.481 ( 0.000 0.042 1.619) 1.620 16.538 ( 0.000 -4.005 2.288) 4.612 18.476 ( 0.000 11.721 1.683) 11.841 19.391 ( 0.000 5.271 -43.656) 43.973 20.320 ( 0.000 7.627 4.949) 9.092 21.097 ( 0.000 -7.998 2.725) 8.449 21.353 ( 0.000 10.632 -2.726) 10.976 22.240 ( 0.000 -4.422 20.365) 20.839 22.323 ( 0.000 -7.166 -1.727) 7.371 22.633 ( 0.000 -5.475 9.213) 10.717 22.673 ( 0.000 -1.952 -1.052) 2.218 22.996 ( 0.000 -10.392 -5.857) 11.929 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 17.444 17.145 6.299) 25.257 1.392 ( 6.652 26.487 4.062) 27.610 1.835 ( -4.793 19.436 -2.535) 20.178 2.162 ( 9.505 30.868 18.064) 37.007 2.393 ( -8.984 22.122 11.777) 26.623 2.814 ( -6.887 -8.684 -4.036) 11.795 2.959 ( -5.780 -4.605 3.043) 7.992 3.039 ( -6.361 -3.142 -0.218) 7.098 3.365 ( 8.370 -1.187 0.522) 8.470 3.476 ( 2.920 -7.573 -8.939) 12.074 3.717 ( 0.408 -5.272 -1.529) 5.505 3.866 ( -5.084 14.781 0.829) 15.653 4.032 ( 4.312 -5.690 4.157) 8.262 4.198 ( -0.572 -8.843 6.521) 11.002 5.083 ( 2.093 20.551 -1.553) 20.716 5.180 ( -0.922 5.553 -1.169) 5.749 5.294 ( 0.117 4.179 2.954) 5.119 5.317 ( 0.631 17.504 0.113) 17.516 5.416 ( -0.884 7.137 1.250) 7.299 5.633 ( -11.641 7.918 -0.962) 14.111 5.742 ( 9.549 -7.975 -0.940) 12.477 5.918 ( 3.610 -6.225 2.831) 7.733 6.019 ( 3.609 -2.509 -4.060) 5.984 6.168 ( 1.942 2.507 -1.446) 3.486 6.428 ( -3.588 5.476 -0.637) 6.578 6.496 ( -2.170 -2.475 3.189) 4.583 6.655 ( 1.217 4.116 -4.902) 6.515 6.800 ( -4.280 7.751 -1.368) 8.959 6.975 ( 0.480 12.210 -2.040) 12.388 7.154 ( -6.280 -3.804 -1.024) 7.413 7.361 ( 1.577 3.676 -15.375) 15.887 7.549 ( 1.245 1.314 0.782) 1.971 7.785 ( 7.483 -4.927 -0.244) 8.963 7.943 ( 5.606 -2.917 3.855) 7.403 8.310 ( -6.394 -11.494 8.520) 15.671 8.655 ( -3.580 6.883 5.220) 9.352 8.868 ( 4.456 -1.589 0.359) 4.744 8.977 ( -0.147 -3.058 2.035) 3.677 9.081 ( 2.638 -1.121 3.650) 4.641 9.234 ( 1.141 -0.964 -4.237) 4.493 9.774 ( -3.210 7.953 -8.487) 12.066 10.041 ( -10.701 1.953 -7.427) 13.172 10.288 ( 0.645 0.790 -2.683) 2.870 10.335 ( 2.020 3.800 -1.919) 4.712 10.480 ( 0.538 3.829 0.722) 3.934 10.532 ( 1.129 -6.621 -1.313) 6.844 10.615 ( 2.257 5.389 -2.366) 6.303 10.825 ( -2.159 -0.541 -0.403) 2.262 10.940 ( 5.930 -4.896 3.047) 8.272 11.181 ( -0.833 -0.582 -0.921) 1.371 11.479 ( -3.484 2.847 -4.615) 6.445 11.538 ( -3.979 0.743 -4.964) 6.406 11.587 ( 3.937 2.747 -1.617) 5.066 11.812 ( 6.043 -5.200 7.939) 11.251 11.907 ( 5.285 -7.436 0.094) 9.123 11.999 ( -0.810 -5.144 1.308) 5.369 12.118 ( 0.562 2.675 5.469) 6.114 12.186 ( 2.013 -4.537 2.218) 5.437 12.239 ( -2.067 -5.594 3.702) 7.019 12.446 ( -6.971 -7.089 -5.168) 11.206 12.565 ( -1.188 -0.609 1.061) 1.705 12.765 ( -7.772 5.504 8.680) 12.885 13.579 ( -0.477 2.009 0.799) 2.214 13.747 ( -5.248 -5.362 1.357) 7.625 13.944 ( -0.712 -4.755 2.492) 5.415 14.016 ( 10.126 1.206 -1.785) 10.353 14.109 ( -6.403 -6.028 -1.290) 8.888 14.133 ( 5.543 -1.735 -1.802) 6.081 15.329 ( 26.603 14.136 2.870) 30.262 15.864 ( 12.427 6.855 -4.155) 14.788 16.297 ( -3.055 2.551 -0.442) 4.005 16.394 ( 2.707 0.029 0.934) 2.864 16.440 ( -2.326 1.526 0.445) 2.817 16.603 ( 5.889 -3.972 4.183) 8.244 18.061 ( -37.153 9.655 2.939) 38.500 18.593 ( -61.862 14.147 -18.297) 66.045 20.584 ( 23.951 9.241 5.137) 26.181 21.409 ( 10.461 4.844 1.524) 11.629 21.484 ( 12.287 3.306 -10.067) 16.224 22.271 ( -2.985 -5.662 0.352) 6.411 22.368 ( 4.489 -6.539 0.104) 7.932 22.587 ( 6.295 -14.900 15.086) 22.119 22.649 ( -2.950 -1.954 -0.783) 3.624 23.069 ( 4.541 -14.218 -6.843) 16.420 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 8.751 22.421 2.243) 24.173 1.612 ( 3.563 18.083 4.276) 18.920 1.790 ( 10.402 18.355 2.587) 21.255 2.132 ( -17.565 18.525 10.359) 27.551 2.401 ( 13.919 22.490 11.735) 28.935 2.646 ( -10.799 3.685 1.215) 11.475 2.878 ( -1.969 -7.654 2.458) 8.276 2.910 ( -5.480 -2.776 1.579) 6.342 3.506 ( 5.602 -4.637 -2.346) 7.641 3.537 ( 2.256 -7.722 -8.024) 11.362 3.717 ( 0.051 -0.071 -1.074) 1.077 3.764 ( -4.930 14.683 0.126) 15.489 4.114 ( 3.966 -7.672 5.656) 10.324 4.174 ( -2.185 -8.227 6.248) 10.559 5.135 ( 3.063 17.489 -2.470) 17.926 5.172 ( -0.519 7.501 -2.063) 7.797 5.299 ( 1.062 8.864 2.802) 9.357 5.330 ( -0.329 14.310 0.839) 14.338 5.408 ( -0.179 7.915 1.127) 7.997 5.448 ( -6.352 6.467 0.972) 9.117 5.907 ( 6.669 -8.734 -3.651) 11.579 5.981 ( -0.153 -4.832 -2.615) 5.496 6.072 ( 5.564 -8.916 -0.904) 10.549 6.180 ( -2.424 -7.389 -2.790) 8.262 6.345 ( -2.745 7.967 0.728) 8.458 6.387 ( -6.098 8.527 2.047) 10.681 6.741 ( 4.648 7.422 -2.698) 9.163 6.776 ( 0.473 3.997 -2.337) 4.654 6.975 ( 0.157 6.270 -0.233) 6.276 7.026 ( -5.610 -2.913 -0.305) 6.328 7.427 ( 5.523 3.159 -14.442) 15.782 7.536 ( -4.125 1.959 -9.189) 10.261 7.897 ( 4.991 -5.668 4.173) 8.629 7.979 ( -2.978 -5.889 7.827) 10.238 8.333 ( 9.128 -2.648 9.810) 13.659 8.531 ( -9.488 2.403 8.668) 13.074 8.924 ( 1.871 0.031 1.866) 2.643 8.954 ( -1.494 0.384 2.616) 3.037 9.176 ( 5.530 -0.884 -3.334) 6.517 9.243 ( -1.075 -1.265 -4.872) 5.147 9.742 ( 1.192 4.994 -7.293) 8.919 9.843 ( -8.974 2.460 -8.039) 12.297 10.304 ( 1.208 0.150 -1.655) 2.054 10.330 ( -1.348 0.831 -0.463) 1.650 10.522 ( 2.841 1.934 -0.946) 3.564 10.552 ( -0.018 -0.153 -2.046) 2.052 10.663 ( 3.451 4.761 0.100) 5.881 10.752 ( -5.160 0.376 -0.930) 5.257 11.068 ( 6.761 -4.364 1.653) 8.215 11.162 ( -2.383 -2.599 3.619) 5.053 11.421 ( -0.555 1.785 -7.693) 7.917 11.464 ( -3.935 1.928 -7.583) 8.758 11.709 ( 7.621 5.035 -0.398) 9.142 11.831 ( -3.743 5.335 1.790) 6.759 11.996 ( 2.457 -12.219 5.399) 13.583 12.066 ( 4.599 -5.686 1.186) 7.409 12.097 ( -0.583 -11.751 3.333) 12.229 12.191 ( -1.898 -6.154 1.657) 6.649 12.235 ( 3.067 -0.634 -0.125) 3.134 12.325 ( -5.498 -2.858 -2.624) 6.729 12.543 ( 0.055 0.197 4.484) 4.489 12.609 ( -7.017 1.842 8.122) 10.890 13.593 ( 1.973 0.189 1.321) 2.381 13.652 ( -4.232 -1.326 1.055) 4.558 13.951 ( 1.368 -5.732 2.658) 6.465 13.999 ( -3.898 -5.346 1.482) 6.781 14.187 ( 5.706 0.387 -3.150) 6.529 14.218 ( 2.088 -1.729 -2.545) 3.718 15.846 ( 24.344 12.435 -3.916) 27.615 16.141 ( 2.423 10.270 -7.766) 13.101 16.225 ( 1.926 5.870 -2.730) 6.754 16.346 ( -5.213 3.837 -2.911) 7.098 16.611 ( 22.789 4.173 6.758) 24.133 16.789 ( 15.100 0.144 4.788) 15.841 17.299 ( -36.649 4.615 7.183) 37.630 17.496 ( -48.983 13.027 1.575) 50.710 21.052 ( 22.790 10.592 3.416) 25.362 21.398 ( -12.315 10.130 -0.791) 15.965 21.711 ( 15.923 4.094 2.683) 16.658 22.038 ( -17.034 1.709 0.346) 17.123 22.460 ( 5.543 -4.657 -0.707) 7.274 22.567 ( -5.309 -3.169 -0.794) 6.234 22.898 ( 16.479 -26.576 -3.022) 31.417 23.089 ( -3.687 -21.153 -7.912) 22.883 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 22.817 3.769) 23.126 1.904 ( 0.000 26.565 0.790) 26.577 2.280 ( 0.000 12.527 -1.564) 12.624 2.475 ( 0.000 -8.564 -8.479) 12.051 2.680 ( 0.000 24.484 11.923) 27.233 2.871 ( 0.000 -17.191 -0.407) 17.196 2.984 ( 0.000 3.570 7.776) 8.556 3.018 ( 0.000 -7.743 -0.833) 7.787 3.166 ( 0.000 18.631 7.764) 20.184 3.208 ( 0.000 -16.450 -9.879) 19.188 3.579 ( 0.000 -16.145 3.931) 16.616 3.892 ( 0.000 -6.193 8.462) 10.486 4.186 ( 0.000 17.784 4.276) 18.291 4.361 ( 0.000 20.586 2.718) 20.765 5.075 ( 0.000 -9.868 -0.047) 9.868 5.195 ( 0.000 -13.690 -0.094) 13.690 5.514 ( 0.000 1.023 2.461) 2.665 5.544 ( 0.000 -1.830 2.786) 3.334 5.569 ( 0.000 12.504 -2.773) 12.808 5.615 ( 0.000 12.071 -0.642) 12.089 5.671 ( 0.000 -7.778 -1.153) 7.863 5.805 ( 0.000 0.370 -0.203) 0.422 6.162 ( 0.000 12.718 0.537) 12.730 6.358 ( 0.000 10.602 -2.918) 10.997 6.383 ( 0.000 -3.471 2.741) 4.423 6.533 ( 0.000 7.581 1.211) 7.677 6.680 ( 0.000 -1.689 -3.018) 3.459 7.012 ( 0.000 -10.295 -1.877) 10.465 7.132 ( 0.000 5.127 -1.958) 5.488 7.254 ( 0.000 14.389 2.127) 14.546 7.454 ( 0.000 3.910 -11.524) 12.169 7.655 ( 0.000 9.602 -2.775) 9.995 7.687 ( 0.000 4.685 1.477) 4.912 7.866 ( 0.000 -0.344 1.748) 1.782 8.092 ( 0.000 -12.982 2.027) 13.139 8.588 ( 0.000 -14.528 4.053) 15.083 8.840 ( 0.000 5.772 -2.855) 6.439 8.984 ( 0.000 0.939 -2.277) 2.463 9.033 ( 0.000 0.737 8.558) 8.590 9.186 ( 0.000 -4.107 -1.341) 4.320 9.963 ( 0.000 5.559 -14.393) 15.429 10.180 ( 0.000 -1.998 -10.226) 10.419 10.207 ( 0.000 0.677 -6.191) 6.228 10.296 ( 0.000 -10.174 -10.405) 14.552 10.532 ( 0.000 9.111 0.068) 9.111 10.652 ( 0.000 5.433 1.667) 5.683 10.681 ( 0.000 7.925 2.873) 8.429 10.786 ( 0.000 -3.104 2.839) 4.207 10.844 ( 0.000 0.309 2.972) 2.988 11.142 ( 0.000 -6.107 -4.081) 7.345 11.391 ( 0.000 -10.250 6.057) 11.905 11.472 ( 0.000 -8.286 8.453) 11.837 11.655 ( 0.000 2.117 -3.629) 4.202 11.705 ( 0.000 4.583 -5.074) 6.837 11.742 ( 0.000 3.660 -3.629) 5.154 11.946 ( 0.000 -4.813 -3.705) 6.074 12.079 ( 0.000 -1.243 8.381) 8.473 12.207 ( 0.000 0.918 2.193) 2.377 12.298 ( 0.000 -9.965 -0.047) 9.965 12.304 ( 0.000 3.753 1.230) 3.950 12.684 ( 0.000 11.664 10.489) 15.687 13.047 ( 0.000 11.308 5.957) 12.781 13.465 ( 0.000 -18.298 7.949) 19.951 13.580 ( 0.000 -9.330 4.799) 10.491 13.873 ( 0.000 0.276 -1.571) 1.595 13.971 ( 0.000 -1.648 -0.908) 1.881 14.004 ( 0.000 -5.857 -1.008) 5.943 14.024 ( 0.000 -1.092 -0.017) 1.092 15.397 ( 0.000 16.687 5.361) 17.527 15.790 ( 0.000 -0.524 -1.488) 1.578 16.359 ( 0.000 -0.182 -2.217) 2.224 16.371 ( 0.000 1.049 1.396) 1.746 16.450 ( 0.000 -3.165 3.247) 4.535 16.472 ( 0.000 -0.914 2.435) 2.601 18.754 ( 0.000 14.534 -3.418) 14.931 19.320 ( 0.000 -9.555 -22.905) 24.818 20.491 ( 0.000 8.932 4.676) 10.082 20.906 ( 0.000 -10.041 3.163) 10.527 21.615 ( 0.000 13.717 -8.272) 16.018 22.140 ( 0.000 -10.376 -4.949) 11.496 22.272 ( 0.000 6.054 11.518) 13.012 22.588 ( 0.000 0.600 4.576) 4.615 22.601 ( 0.000 -5.422 -1.104) 5.533 22.783 ( 0.000 -9.162 -0.598) 9.182 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 11.063 19.382 3.441) 22.581 1.947 ( 4.337 26.019 0.715) 26.387 2.255 ( -2.708 16.413 -2.685) 16.851 2.466 ( -0.571 -10.524 -6.310) 12.284 2.716 ( 1.072 17.224 6.520) 18.448 2.764 ( -12.151 0.015 4.054) 12.809 2.885 ( -4.942 1.064 5.293) 7.319 3.019 ( 3.623 -9.676 0.865) 10.368 3.201 ( 0.643 2.637 0.509) 2.762 3.241 ( 1.312 -7.352 -1.842) 7.692 3.624 ( 4.394 -14.816 4.128) 15.996 3.885 ( -1.203 -8.004 7.791) 11.234 4.196 ( 1.274 19.299 4.608) 19.882 4.346 ( -1.591 20.567 3.307) 20.892 5.070 ( -0.285 -10.451 0.125) 10.456 5.171 ( -2.267 -13.190 -0.302) 13.387 5.472 ( -1.458 4.313 2.541) 5.214 5.567 ( -1.670 3.762 -0.254) 4.124 5.586 ( 2.556 2.635 0.518) 3.707 5.632 ( 3.757 3.320 -2.836) 5.760 5.725 ( 3.311 0.691 -0.161) 3.386 5.834 ( 3.124 0.337 -1.051) 3.314 6.037 ( -9.792 10.640 -0.072) 14.460 6.232 ( -6.998 -0.903 -0.318) 7.063 6.520 ( 5.006 5.686 0.524) 7.594 6.554 ( 1.942 9.104 0.695) 9.335 6.747 ( 8.010 2.913 -1.379) 8.634 7.006 ( -2.737 -3.529 -1.259) 4.641 7.074 ( -3.506 -1.260 -0.372) 3.744 7.114 ( -9.619 12.585 -1.722) 15.933 7.457 ( -1.959 1.676 -9.196) 9.550 7.621 ( -5.098 1.805 -2.962) 6.166 7.769 ( 7.603 4.356 -2.100) 9.010 7.972 ( 7.390 6.211 2.956) 10.096 8.069 ( 2.122 -9.101 6.042) 11.128 8.614 ( -0.200 -12.262 5.060) 13.266 8.852 ( 1.979 4.568 -4.079) 6.436 8.988 ( 0.113 0.862 -0.366) 0.943 9.061 ( 2.918 0.067 4.900) 5.704 9.174 ( -0.894 -5.093 -2.652) 5.812 9.929 ( -3.172 6.517 -12.727) 14.646 10.081 ( -9.425 1.640 -7.567) 12.197 10.178 ( -0.508 -4.627 -8.327) 9.540 10.277 ( -2.320 -8.465 -6.589) 10.975 10.568 ( 2.491 7.944 0.825) 8.366 10.647 ( 1.364 6.762 -0.807) 6.945 10.740 ( 2.416 4.340 -0.901) 5.048 10.831 ( -1.135 1.394 2.769) 3.302 10.855 ( 7.169 -1.803 3.234) 8.069 11.146 ( 0.550 -3.370 -1.040) 3.569 11.408 ( -0.675 -9.391 3.007) 9.884 11.456 ( 0.657 -7.331 2.826) 7.885 11.624 ( -3.626 3.897 -8.374) 9.923 11.726 ( 6.164 -2.452 2.408) 7.058 11.848 ( 7.004 3.860 -1.408) 8.120 11.927 ( -2.411 -4.376 -1.450) 5.202 12.054 ( -2.690 -2.914 6.698) 7.784 12.197 ( -1.643 2.013 3.155) 4.087 12.266 ( -2.436 -8.082 -1.239) 8.532 12.286 ( -1.488 2.804 0.762) 3.264 12.672 ( -0.972 12.077 10.777) 16.215 12.938 ( -9.580 10.918 6.377) 15.864 13.463 ( -0.433 -17.726 7.671) 19.320 13.507 ( -4.668 -11.323 5.480) 13.418 13.924 ( -0.407 1.648 0.122) 1.702 13.971 ( -1.857 -3.234 -0.190) 3.734 14.020 ( 7.515 -1.796 -1.560) 7.883 14.081 ( 3.805 -3.270 -0.601) 5.053 15.643 ( 23.252 15.005 2.268) 27.766 15.976 ( 18.930 2.295 -3.743) 19.433 16.343 ( -1.364 1.554 -1.655) 2.648 16.384 ( 0.866 -1.088 0.374) 1.440 16.451 ( 1.289 -0.056 2.671) 2.966 16.515 ( 4.956 -3.659 5.385) 8.182 18.289 ( -40.946 11.821 -0.938) 42.629 18.684 ( -52.566 -3.263 -12.465) 54.122 20.805 ( 26.684 11.793 3.014) 29.329 21.321 ( 28.393 -10.289 -1.812) 30.254 21.680 ( 5.014 12.340 -10.696) 17.083 22.165 ( 0.943 -7.973 -4.847) 9.378 22.256 ( 0.715 1.052 8.209) 8.307 22.460 ( -8.008 -1.798 7.381) 11.038 22.596 ( -3.151 -2.558 -0.802) 4.137 22.789 ( -1.002 -11.757 -1.717) 11.923 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 13.837 15.412 1.439) 20.762 2.037 ( 1.835 21.675 1.082) 21.780 2.205 ( 1.200 20.236 -2.675) 20.448 2.404 ( -12.574 5.851 3.544) 14.314 2.539 ( -1.441 -5.779 -3.282) 6.801 2.625 ( -7.140 -5.271 -1.448) 8.992 2.964 ( 8.676 16.423 9.860) 21.029 3.086 ( -0.287 1.904 2.964) 3.534 3.175 ( -0.462 -6.381 0.658) 6.431 3.227 ( -2.746 -13.578 -1.797) 13.969 3.728 ( 6.036 -12.277 4.836) 14.510 3.832 ( -4.389 -10.342 6.248) 12.855 4.239 ( 3.144 20.582 4.945) 21.400 4.301 ( -3.019 20.509 4.407) 21.194 5.077 ( 1.276 -11.634 0.087) 11.704 5.119 ( -2.877 -12.725 -0.344) 13.051 5.477 ( 1.736 4.317 2.114) 5.111 5.522 ( -2.593 3.378 1.062) 4.388 5.654 ( 4.090 4.940 -3.902) 7.507 5.699 ( 1.470 -4.233 -3.179) 5.494 5.762 ( 1.646 7.676 0.260) 7.855 5.843 ( -6.108 4.031 -0.222) 7.322 5.952 ( 5.317 0.286 -0.016) 5.325 6.086 ( -7.869 -2.436 -0.401) 8.247 6.586 ( 2.531 11.583 0.299) 11.860 6.595 ( 1.816 9.888 -0.088) 10.053 6.867 ( -0.599 8.131 -2.332) 8.480 6.912 ( -6.775 8.463 -0.312) 10.845 6.995 ( 6.681 -1.534 2.433) 7.274 7.087 ( -0.538 -0.777 0.377) 1.018 7.404 ( -1.628 -5.435 -9.277) 10.875 7.469 ( -8.283 -8.469 -6.743) 13.631 7.917 ( 6.744 8.226 0.762) 10.664 8.000 ( -1.812 9.092 2.579) 9.623 8.273 ( 14.036 -3.606 7.078) 16.128 8.513 ( -9.989 -5.585 6.521) 13.172 8.916 ( 3.825 1.261 -3.409) 5.276 8.974 ( -1.931 1.150 -0.691) 2.351 9.127 ( 3.211 -3.478 -0.526) 4.763 9.162 ( -0.643 -6.317 -3.423) 7.213 9.875 ( -1.325 7.045 -9.216) 11.675 9.919 ( -6.189 4.641 -7.397) 10.703 10.186 ( 1.469 -7.719 -6.644) 10.290 10.227 ( -2.611 -8.217 -5.747) 10.361 10.617 ( 2.651 6.875 0.011) 7.368 10.656 ( -0.974 6.153 -1.427) 6.391 10.774 ( 1.514 2.998 -0.341) 3.376 10.803 ( -1.590 2.427 1.195) 3.138 11.015 ( 8.525 0.855 2.208) 8.847 11.137 ( -3.158 1.300 2.754) 4.387 11.381 ( 0.655 -6.651 -7.214) 9.834 11.441 ( -3.900 -7.120 -4.238) 9.158 11.652 ( 6.900 -1.114 0.113) 6.990 11.798 ( -5.211 -4.186 3.194) 7.408 11.887 ( 4.052 -6.162 2.175) 7.689 11.970 ( 0.156 -4.714 1.947) 5.103 12.008 ( 3.298 3.270 2.304) 5.185 12.126 ( -5.571 3.295 2.253) 6.853 12.242 ( 0.141 -4.470 -1.088) 4.603 12.260 ( -1.295 -0.619 0.573) 1.545 12.669 ( 1.591 13.024 10.430) 16.761 12.759 ( -7.827 12.121 8.163) 16.578 13.448 ( -0.762 -15.121 6.315) 16.404 13.452 ( -1.146 -16.446 7.147) 17.969 13.917 ( 0.321 3.077 1.378) 3.387 13.936 ( -1.551 1.253 0.705) 2.115 14.133 ( 3.153 -4.822 -1.529) 5.961 14.141 ( 1.952 -5.165 -1.123) 5.635 16.108 ( 19.122 11.638 -4.300) 22.794 16.285 ( -0.268 4.342 -4.750) 6.441 16.324 ( 3.978 2.978 -5.012) 7.058 16.380 ( -1.535 -0.389 -2.802) 3.219 16.682 ( 27.852 2.527 6.840) 28.791 16.781 ( 30.345 -1.238 6.194) 30.995 17.429 ( -45.346 7.526 3.354) 46.088 17.646 ( -52.768 1.305 -2.066) 52.825 21.306 ( 23.540 13.488 0.459) 27.134 21.645 ( -10.526 13.120 -4.874) 17.513 21.756 ( 17.991 -1.789 -0.605) 18.090 22.060 ( -12.835 -1.191 -2.579) 13.146 22.350 ( 6.923 -4.882 -1.236) 8.560 22.453 ( 3.984 -8.974 1.949) 10.010 22.517 ( 0.439 -6.819 1.149) 6.929 22.701 ( -8.674 -15.033 -1.995) 17.471 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.000 -21.649 1.663) 21.712 1.992 ( 0.000 21.649 1.663) 21.712 2.428 ( 0.000 -23.615 -0.321) 23.618 2.428 ( 0.000 23.615 -0.321) 23.618 2.775 ( 0.000 -19.160 -10.070) 21.645 2.775 ( 0.000 19.160 -10.070) 21.645 2.962 ( 0.000 -4.667 -0.413) 4.686 2.962 ( 0.000 4.667 -0.413) 4.686 3.202 ( 0.000 -18.930 10.759) 21.774 3.202 ( 0.000 18.930 10.759) 21.774 3.598 ( 0.000 -18.894 10.241) 21.490 3.598 ( 0.000 18.894 10.241) 21.490 4.689 ( 0.000 -15.607 -1.360) 15.666 4.689 ( 0.000 15.607 -1.360) 15.666 4.803 ( 0.000 -5.993 2.949) 6.679 4.803 ( 0.000 5.993 2.949) 6.679 5.521 ( 0.000 -0.498 2.754) 2.798 5.521 ( 0.000 0.498 2.754) 2.798 5.629 ( 0.000 -0.209 0.169) 0.269 5.629 ( 0.000 0.209 0.169) 0.269 5.811 ( 0.000 -2.434 -1.730) 2.986 5.811 ( 0.000 2.434 -1.730) 2.986 6.309 ( 0.000 -4.107 1.819) 4.491 6.309 ( 0.000 4.107 1.819) 4.491 6.583 ( 0.000 -8.897 -2.884) 9.352 6.583 ( 0.000 8.897 -2.884) 9.352 6.747 ( 0.000 -11.731 1.128) 11.786 6.747 ( 0.000 11.731 1.128) 11.786 7.332 ( 0.000 -13.150 -5.808) 14.375 7.332 ( 0.000 13.150 -5.808) 14.375 7.618 ( 0.000 -17.347 0.253) 17.349 7.618 ( 0.000 17.347 0.253) 17.349 7.751 ( 0.000 -0.920 -0.867) 1.265 7.751 ( 0.000 0.920 -0.867) 1.265 8.238 ( 0.000 -18.066 1.716) 18.147 8.238 ( 0.000 18.066 1.716) 18.147 8.950 ( 0.000 -4.393 -3.101) 5.378 8.950 ( 0.000 4.393 -3.101) 5.378 9.087 ( 0.000 -4.018 4.020) 5.684 9.087 ( 0.000 4.018 4.020) 5.684 10.090 ( 0.000 -7.720 -12.550) 14.735 10.090 ( 0.000 7.720 -12.550) 14.735 10.199 ( 0.000 -1.563 -9.364) 9.494 10.199 ( 0.000 1.563 -9.364) 9.494 10.678 ( 0.000 -4.320 -0.467) 4.345 10.678 ( 0.000 4.320 -0.467) 4.345 10.765 ( 0.000 -0.159 1.056) 1.068 10.765 ( 0.000 0.159 1.056) 1.068 10.935 ( 0.000 -9.632 2.036) 9.845 10.935 ( 0.000 9.632 2.036) 9.845 11.338 ( 0.000 -3.714 9.093) 9.822 11.338 ( 0.000 3.714 9.093) 9.822 11.713 ( 0.000 -3.076 -6.844) 7.503 11.713 ( 0.000 3.076 -6.844) 7.503 11.860 ( 0.000 -4.381 -4.766) 6.474 11.860 ( 0.000 4.381 -4.766) 6.474 12.103 ( 0.000 -5.043 6.451) 8.188 12.103 ( 0.000 5.043 6.451) 8.188 12.288 ( 0.000 -3.315 2.075) 3.911 12.288 ( 0.000 3.315 2.075) 3.911 13.044 ( 0.000 -20.539 12.163) 23.871 13.044 ( 0.000 20.539 12.163) 23.871 13.315 ( 0.000 -14.078 5.054) 14.957 13.315 ( 0.000 14.078 5.054) 14.957 13.897 ( 0.000 -2.190 -2.257) 3.145 13.897 ( 0.000 2.190 -2.257) 3.145 14.000 ( 0.000 -1.034 0.870) 1.351 14.000 ( 0.000 1.034 0.870) 1.351 15.684 ( 0.000 -9.975 2.511) 10.286 15.684 ( 0.000 9.975 2.511) 10.286 16.361 ( 0.000 -0.705 -1.552) 1.705 16.361 ( 0.000 0.705 -1.552) 1.705 16.445 ( 0.000 -1.414 3.524) 3.797 16.445 ( 0.000 1.414 3.524) 3.797 19.060 ( 0.000 -14.325 -10.788) 17.933 19.060 ( 0.000 14.325 -10.788) 17.933 20.692 ( 0.000 -10.241 3.880) 10.951 20.692 ( 0.000 10.241 3.880) 10.951 21.896 ( 0.000 -12.847 -8.153) 15.216 21.896 ( 0.000 12.847 -8.153) 15.216 22.441 ( 0.000 -9.082 3.514) 9.738 22.441 ( 0.000 9.082 3.514) 9.738 22.643 ( 0.000 -4.484 2.501) 5.134 22.643 ( 0.000 4.484 2.501) 5.134 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 5.376 -19.185 1.478) 19.979 2.043 ( 5.376 19.185 1.478) 19.979 2.452 ( 1.605 -21.241 0.254) 21.303 2.452 ( 1.605 21.241 0.254) 21.303 2.722 ( -4.954 -12.852 -9.507) 16.736 2.722 ( -4.954 12.852 -9.507) 16.736 2.903 ( -5.437 -6.600 -1.012) 8.610 2.903 ( -5.437 6.600 -1.012) 8.610 3.260 ( 5.894 -19.041 10.544) 22.549 3.260 ( 5.894 19.041 10.544) 22.549 3.592 ( -1.245 -17.781 10.008) 20.442 3.592 ( -1.245 17.781 10.008) 20.442 4.693 ( 0.519 -14.649 -0.754) 14.678 4.693 ( 0.519 14.649 -0.754) 14.678 4.787 ( -1.601 -6.970 2.931) 7.729 4.787 ( -1.601 6.970 2.931) 7.729 5.528 ( 0.859 -2.578 2.177) 3.482 5.528 ( 0.859 2.578 2.177) 3.482 5.620 ( -0.815 -2.248 -0.348) 2.416 5.620 ( -0.815 2.248 -0.348) 2.416 5.844 ( 3.062 -2.019 -1.366) 3.914 5.844 ( 3.062 2.019 -1.366) 3.914 6.186 ( -9.343 -3.559 0.262) 10.001 6.186 ( -9.343 3.559 0.262) 10.001 6.685 ( 7.223 -8.510 -1.492) 11.261 6.685 ( 7.223 8.510 -1.492) 11.261 6.785 ( 4.150 -10.775 1.635) 11.662 6.785 ( 4.150 10.775 1.635) 11.662 7.234 ( -7.760 -11.295 -6.129) 15.012 7.234 ( -7.760 11.295 -6.129) 15.012 7.485 ( -11.103 -10.888 0.397) 15.556 7.485 ( -11.103 10.888 0.397) 15.556 7.901 ( 12.170 -6.014 0.132) 13.575 7.901 ( 12.170 6.014 0.132) 13.575 8.287 ( 3.140 -17.703 1.180) 18.018 8.287 ( 3.140 17.703 1.180) 18.018 8.960 ( 1.118 -4.618 -3.147) 5.699 8.960 ( 1.118 4.618 -3.147) 5.699 9.080 ( -0.916 -2.564 2.928) 3.998 9.080 ( -0.916 2.564 2.928) 3.998 10.051 ( -3.163 -5.167 -10.494) 12.117 10.051 ( -3.163 5.167 -10.494) 12.117 10.152 ( -4.397 -2.499 -8.792) 10.143 10.152 ( -4.397 2.499 -8.792) 10.143 10.701 ( 2.132 -3.006 -1.326) 3.917 10.701 ( 2.132 3.006 -1.326) 3.917 10.781 ( 0.816 -2.139 0.787) 2.421 10.781 ( 0.816 2.139 0.787) 2.421 10.987 ( 5.608 -9.565 1.382) 11.173 10.987 ( 5.608 9.565 1.382) 11.173 11.344 ( -0.344 -3.664 6.580) 7.539 11.344 ( -0.344 3.664 6.580) 7.539 11.685 ( -1.036 -2.881 -5.966) 6.705 11.685 ( -1.036 2.881 -5.966) 6.705 11.885 ( 0.692 -1.806 -1.304) 2.332 11.885 ( 0.692 1.806 -1.304) 2.332 12.095 ( -0.018 -6.680 3.692) 7.632 12.095 ( -0.018 6.680 3.692) 7.632 12.269 ( -2.056 -3.082 2.157) 4.287 12.269 ( -2.056 3.082 2.157) 4.287 13.037 ( -0.539 -20.216 11.743) 23.385 13.037 ( -0.539 20.216 11.743) 23.385 13.217 ( -7.869 -14.403 6.208) 17.547 13.217 ( -7.869 14.403 6.208) 17.547 13.956 ( 4.183 -1.524 -1.799) 4.802 13.956 ( 4.183 1.524 -1.799) 4.802 14.011 ( 0.988 -2.754 0.905) 3.062 14.011 ( 0.988 2.754 0.905) 3.062 15.907 ( 21.988 -9.026 -0.289) 23.770 15.907 ( 21.988 9.026 -0.289) 23.770 16.361 ( -0.020 -0.751 -1.877) 2.022 16.361 ( -0.020 0.751 -1.877) 2.022 16.464 ( 2.803 -1.505 5.033) 5.954 16.464 ( 2.803 1.505 5.033) 5.954 18.529 ( -45.650 -10.433 -5.960) 47.204 18.529 ( -45.650 10.433 -5.960) 47.204 21.067 ( 29.496 -12.989 0.565) 32.234 21.067 ( 29.496 12.989 0.565) 32.234 21.942 ( 3.712 -12.218 -9.360) 15.832 21.942 ( 3.712 12.218 -9.360) 15.832 22.372 ( -5.849 -7.053 5.519) 10.696 22.372 ( -5.849 7.053 5.519) 10.696 22.612 ( -3.731 -4.877 1.235) 6.263 22.612 ( -3.731 4.877 1.235) 6.263 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 10.278 -13.581 0.981) 17.060 2.195 ( 10.278 13.581 0.981) 17.060 2.396 ( -8.930 -10.262 0.761) 13.625 2.396 ( -8.930 10.262 0.761) 13.625 2.684 ( 3.112 -16.894 -6.755) 18.458 2.684 ( 3.112 16.894 -6.755) 18.458 2.787 ( -6.367 -17.562 -3.717) 19.046 2.787 ( -6.367 17.562 -3.717) 19.046 3.400 ( 7.974 -18.054 10.327) 22.275 3.400 ( 7.974 18.054 10.327) 22.275 3.532 ( -5.269 -17.154 10.072) 20.578 3.532 ( -5.269 17.154 10.072) 20.578 4.711 ( 1.501 -11.860 0.777) 11.980 4.711 ( 1.501 11.860 0.777) 11.980 4.748 ( -2.231 -8.887 2.306) 9.448 4.748 ( -2.231 8.887 2.306) 9.448 5.557 ( 2.072 -4.251 0.689) 4.779 5.557 ( 2.072 4.251 0.689) 4.779 5.597 ( -1.774 -4.167 -0.382) 4.545 5.597 ( -1.774 4.167 -0.382) 4.545 5.916 ( 4.481 -3.288 -0.953) 5.639 5.916 ( 4.481 3.288 -0.953) 5.639 6.023 ( -7.129 -4.543 -0.530) 8.470 6.023 ( -7.129 4.543 -0.530) 8.470 6.805 ( 5.626 -7.375 -1.430) 9.385 6.805 ( 5.626 7.375 -1.430) 9.385 6.867 ( 1.417 -5.455 1.670) 5.878 6.867 ( 1.417 5.455 1.670) 5.878 7.131 ( 0.076 -10.220 -4.560) 11.191 7.131 ( 0.076 10.220 -4.560) 11.191 7.262 ( -11.081 -7.714 0.187) 13.503 7.262 ( -11.081 7.714 0.187) 13.503 8.137 ( 11.281 -9.789 0.658) 14.951 8.137 ( 11.281 9.789 0.658) 14.951 8.288 ( -3.973 -14.721 0.909) 15.275 8.288 ( -3.973 14.721 0.909) 15.275 8.995 ( 2.567 -4.572 -2.325) 5.735 8.995 ( 2.567 4.572 -2.325) 5.735 9.047 ( -2.483 -2.884 0.203) 3.811 9.047 ( -2.483 2.884 0.203) 3.811 10.015 ( 0.184 -4.603 -8.105) 9.323 10.015 ( 0.184 4.603 -8.105) 9.323 10.062 ( -4.293 -5.161 -7.851) 10.329 10.062 ( -4.293 5.161 -7.851) 10.329 10.745 ( 2.222 -2.945 -1.010) 3.825 10.745 ( 2.222 2.945 -1.010) 3.825 10.778 ( -1.093 -2.770 0.028) 2.978 10.778 ( -1.093 2.770 0.028) 2.978 11.130 ( 8.655 -7.690 -0.307) 11.582 11.130 ( 8.655 7.690 -0.307) 11.582 11.282 ( -6.355 -5.536 0.617) 8.451 11.282 ( -6.355 5.536 0.617) 8.451 11.725 ( 5.108 -6.218 -0.625) 8.071 11.725 ( 5.108 6.218 -0.625) 8.071 11.837 ( -5.381 -5.288 2.056) 7.820 11.837 ( -5.381 5.288 2.056) 7.820 12.133 ( 3.718 -5.986 0.399) 7.058 12.133 ( 3.718 5.986 0.399) 7.058 12.210 ( -3.929 -3.698 1.371) 5.567 12.210 ( -3.929 3.698 1.371) 5.567 13.036 ( 0.950 -18.345 10.623) 21.220 13.036 ( 0.950 18.345 10.623) 21.220 13.089 ( -4.839 -16.030 8.817) 18.924 13.089 ( -4.839 16.030 8.817) 18.924 14.012 ( 1.759 -0.738 -0.624) 2.007 14.012 ( 1.759 0.738 -0.624) 2.007 14.027 ( 0.264 -1.094 0.353) 1.179 14.027 ( 0.264 1.094 0.353) 1.179 16.293 ( 9.173 -5.332 -5.609) 12.002 16.293 ( 9.173 5.332 -5.609) 12.002 16.356 ( -0.825 -1.261 -2.775) 3.158 16.356 ( -0.825 1.261 -2.775) 3.158 16.735 ( 33.716 -2.729 7.099) 34.563 16.735 ( 33.716 2.729 7.099) 34.563 17.583 ( -50.368 -6.300 -0.128) 50.760 17.583 ( -50.368 6.300 -0.128) 50.760 21.589 ( 23.407 -12.621 -1.878) 26.660 21.589 ( 23.407 12.621 -1.878) 26.660 21.918 ( -9.826 -11.731 -6.927) 16.798 21.918 ( -9.826 11.731 -6.927) 16.798 22.337 ( 5.003 -3.483 3.949) 7.264 22.337 ( 5.003 3.483 3.949) 7.264 22.492 ( -8.570 -4.656 0.304) 9.758 22.492 ( -8.570 4.656 0.304) 9.758 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 0.000 20.500) 20.500 1.169 ( 0.000 0.000 28.565) 28.565 1.648 ( 0.000 0.000 34.267) 34.267 1.849 ( 0.000 0.000 13.878) 13.878 1.994 ( 0.000 0.000 23.510) 23.510 2.819 ( 0.000 0.000 2.815) 2.815 2.912 ( 0.000 0.000 -11.182) 11.182 3.123 ( 0.000 0.000 -1.242) 1.242 3.363 ( 0.000 0.000 5.794) 5.794 3.519 ( 0.000 0.000 2.336) 2.336 3.799 ( 0.000 0.000 -9.861) 9.861 4.017 ( 0.000 0.000 -6.380) 6.380 4.134 ( 0.000 0.000 -12.767) 12.767 4.210 ( 0.000 0.000 0.814) 0.814 4.352 ( 0.000 0.000 6.387) 6.387 4.553 ( 0.000 0.000 -7.159) 7.159 5.151 ( 0.000 0.000 2.547) 2.547 5.270 ( 0.000 0.000 15.135) 15.135 5.494 ( 0.000 0.000 1.498) 1.498 5.528 ( 0.000 0.000 -12.318) 12.318 5.581 ( 0.000 0.000 9.360) 9.360 5.947 ( 0.000 0.000 -0.354) 0.354 5.969 ( 0.000 0.000 0.469) 0.469 6.100 ( 0.000 0.000 6.865) 6.865 6.278 ( 0.000 0.000 -11.726) 11.726 6.373 ( 0.000 0.000 8.869) 8.869 6.414 ( 0.000 0.000 -5.658) 5.658 6.674 ( 0.000 0.000 -10.080) 10.080 6.817 ( 0.000 0.000 -22.065) 22.065 6.924 ( 0.000 0.000 5.689) 5.689 7.221 ( 0.000 0.000 -0.821) 0.821 7.908 ( 0.000 0.000 -6.200) 6.200 7.966 ( 0.000 0.000 1.097) 1.097 8.142 ( 0.000 0.000 18.699) 18.699 8.480 ( 0.000 0.000 -5.055) 5.055 8.488 ( 0.000 0.000 -6.718) 6.718 8.871 ( 0.000 0.000 0.985) 0.985 9.292 ( 0.000 0.000 -4.236) 4.236 9.340 ( 0.000 0.000 16.120) 16.120 9.385 ( 0.000 0.000 -5.110) 5.110 9.444 ( 0.000 0.000 10.678) 10.678 9.882 ( 0.000 0.000 -25.786) 25.786 10.163 ( 0.000 0.000 9.868) 9.868 10.229 ( 0.000 0.000 12.568) 12.568 10.347 ( 0.000 0.000 -4.610) 4.610 10.379 ( 0.000 0.000 -19.605) 19.605 10.705 ( 0.000 0.000 -7.199) 7.199 10.792 ( 0.000 0.000 -4.228) 4.228 10.826 ( 0.000 0.000 -17.202) 17.202 11.076 ( 0.000 0.000 -5.151) 5.151 11.275 ( 0.000 0.000 15.666) 15.666 11.392 ( 0.000 0.000 0.035) 0.035 11.849 ( 0.000 0.000 -2.908) 2.908 11.860 ( 0.000 0.000 10.417) 10.417 11.900 ( 0.000 0.000 -0.550) 0.550 12.171 ( 0.000 0.000 3.589) 3.589 12.412 ( 0.000 0.000 -3.909) 3.909 12.447 ( 0.000 0.000 0.193) 0.193 12.503 ( 0.000 0.000 -2.290) 2.290 12.636 ( 0.000 0.000 1.479) 1.479 12.824 ( 0.000 0.000 8.085) 8.085 12.983 ( 0.000 0.000 -9.697) 9.697 13.141 ( 0.000 0.000 -4.832) 4.832 13.353 ( 0.000 0.000 -1.728) 1.728 13.868 ( 0.000 0.000 -1.591) 1.591 13.893 ( 0.000 0.000 -1.870) 1.870 13.963 ( 0.000 0.000 -3.123) 3.123 14.226 ( 0.000 0.000 -2.757) 2.757 14.810 ( 0.000 0.000 16.888) 16.888 15.650 ( 0.000 0.000 -0.589) 0.589 16.249 ( 0.000 0.000 -6.092) 6.092 16.372 ( 0.000 0.000 8.909) 8.909 16.511 ( 0.000 0.000 2.743) 2.743 16.579 ( 0.000 0.000 5.178) 5.178 18.011 ( 0.000 0.000 -12.356) 12.356 18.342 ( 0.000 0.000 5.613) 5.613 20.347 ( 0.000 0.000 14.315) 14.315 21.275 ( 0.000 0.000 6.873) 6.873 21.342 ( 0.000 0.000 4.163) 4.163 22.467 ( 0.000 0.000 -2.268) 2.268 22.594 ( 0.000 0.000 0.690) 0.690 22.690 ( 0.000 0.000 -0.963) 0.963 23.010 ( 0.000 0.000 -13.345) 13.345 23.404 ( 0.000 0.000 -6.857) 6.857 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 23.543 0.000 16.661) 28.842 1.240 ( 7.081 0.000 26.405) 27.338 1.759 ( 12.491 0.000 30.406) 32.871 1.786 ( -6.368 0.000 14.823) 16.133 1.932 ( -6.442 0.000 24.268) 25.108 2.858 ( 3.996 0.000 2.852) 4.910 2.921 ( -2.760 0.000 -7.507) 7.999 3.029 ( -5.931 0.000 -2.252) 6.345 3.274 ( -7.764 0.000 4.338) 8.893 3.440 ( -7.454 0.000 1.079) 7.531 3.894 ( 8.448 0.000 -8.179) 11.759 4.054 ( 3.192 0.000 -6.937) 7.636 4.146 ( 0.859 0.000 -12.436) 12.466 4.228 ( 1.412 0.000 0.371) 1.460 4.346 ( -0.569 0.000 4.614) 4.649 4.513 ( -3.833 0.000 -6.044) 7.157 5.152 ( 0.107 0.000 2.167) 2.170 5.293 ( 2.183 0.000 14.598) 14.760 5.324 ( -8.429 0.000 -2.829) 8.891 5.475 ( -6.295 0.000 11.066) 12.731 5.685 ( 7.323 0.000 -3.518) 8.124 6.023 ( 4.241 0.000 -4.897) 6.478 6.054 ( -1.005 0.000 7.602) 7.668 6.182 ( 14.056 0.000 -5.504) 15.095 6.307 ( 2.241 0.000 -10.324) 10.565 6.385 ( 2.292 0.000 6.773) 7.150 6.410 ( 0.004 0.000 -6.860) 6.860 6.663 ( 0.279 0.000 -7.482) 7.488 6.764 ( -5.477 0.000 -21.221) 21.916 6.994 ( 6.099 0.000 4.191) 7.400 7.110 ( -9.630 0.000 -0.682) 9.654 7.679 ( -13.931 0.000 -3.921) 14.472 8.184 ( 4.103 0.000 16.088) 16.603 8.188 ( 13.015 0.000 0.472) 13.023 8.455 ( -2.543 0.000 -3.355) 4.210 8.546 ( 4.415 0.000 -5.785) 7.277 8.895 ( 2.626 0.000 2.350) 3.523 9.263 ( -3.689 0.000 2.423) 4.414 9.270 ( -6.724 0.000 14.953) 16.395 9.344 ( -0.402 0.000 -2.948) 2.976 9.518 ( 3.698 0.000 3.706) 5.236 9.777 ( -8.754 0.000 -22.983) 24.594 10.173 ( 0.805 0.000 9.864) 9.897 10.218 ( -0.821 0.000 10.879) 10.910 10.388 ( 3.695 0.000 -3.039) 4.784 10.473 ( 7.879 0.000 -19.757) 21.271 10.638 ( -4.584 0.000 -5.043) 6.815 10.796 ( -2.573 0.000 -17.716) 17.902 10.869 ( 5.426 0.000 -6.144) 8.197 11.068 ( -0.950 0.000 -5.546) 5.627 11.279 ( 1.265 0.000 12.846) 12.908 11.416 ( 2.467 0.000 0.440) 2.506 11.709 ( -7.194 0.000 3.116) 7.840 11.815 ( -9.844 0.000 1.864) 10.019 12.009 ( 8.168 0.000 4.140) 9.158 12.144 ( 1.126 0.000 3.513) 3.689 12.380 ( -3.308 0.000 -0.633) 3.368 12.455 ( 0.788 0.000 -2.103) 2.246 12.528 ( -0.732 0.000 -7.239) 7.276 12.602 ( -3.178 0.000 0.404) 3.203 12.793 ( -1.817 0.000 7.160) 7.387 12.948 ( -2.040 0.000 -5.755) 6.106 13.173 ( 3.043 0.000 -4.238) 5.217 13.340 ( -1.367 0.000 -1.920) 2.357 13.776 ( -4.610 0.000 -1.312) 4.793 13.894 ( -0.355 0.000 -1.593) 1.632 14.082 ( 5.514 0.000 -4.049) 6.841 14.218 ( 0.277 0.000 -1.924) 1.944 15.041 ( 21.681 0.000 11.227) 24.416 15.679 ( 2.782 0.000 0.092) 2.783 16.148 ( -7.562 0.000 -3.117) 8.180 16.367 ( -7.277 0.000 3.402) 8.033 16.481 ( 7.447 0.000 8.301) 11.152 16.715 ( 8.435 0.000 5.323) 9.974 17.718 ( -23.410 0.000 -0.227) 23.411 18.043 ( -28.310 0.000 8.088) 29.443 20.575 ( 20.399 0.000 12.595) 23.974 21.336 ( 4.660 0.000 5.497) 7.206 21.460 ( 9.095 0.000 3.313) 9.679 22.365 ( -14.367 0.000 -2.681) 14.615 22.520 ( 0.647 0.000 1.378) 1.522 22.677 ( -1.747 0.000 -0.211) 1.760 23.156 ( 10.763 0.000 -15.985) 19.271 23.418 ( 1.039 0.000 -13.366) 13.407 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 10.743 0.000 21.851) 24.349 1.495 ( 16.670 0.000 21.341) 27.080 1.622 ( -10.320 0.000 17.595) 20.398 1.758 ( -11.501 0.000 24.447) 27.017 2.138 ( 25.656 0.000 16.593) 30.554 2.625 ( -23.209 0.000 5.344) 23.816 2.964 ( 6.924 0.000 3.005) 7.548 3.093 ( 8.009 0.000 -6.348) 10.219 3.113 ( -8.516 0.000 3.376) 9.161 3.269 ( -9.801 0.000 -2.294) 10.066 4.070 ( 9.171 0.000 -6.128) 11.030 4.114 ( 2.709 0.000 -8.616) 9.032 4.149 ( -0.835 0.000 -10.777) 10.809 4.211 ( -4.638 0.000 -2.431) 5.236 4.356 ( 2.588 0.000 0.936) 2.752 4.429 ( -4.509 0.000 -2.301) 5.062 5.160 ( 0.985 0.000 1.220) 1.568 5.204 ( -4.094 0.000 -0.406) 4.114 5.341 ( 2.534 0.000 12.979) 13.224 5.390 ( -3.026 0.000 11.590) 11.979 5.807 ( 6.145 0.000 1.042) 6.232 5.929 ( -6.528 0.000 3.200) 7.270 6.208 ( 8.237 0.000 -4.017) 9.165 6.312 ( -2.660 0.000 -5.350) 5.975 6.342 ( 5.262 0.000 -1.775) 5.553 6.425 ( -1.848 0.000 -2.548) 3.148 6.461 ( 6.334 0.000 -14.359) 15.694 6.621 ( -9.029 0.000 -18.962) 21.002 6.749 ( 8.532 0.000 -4.100) 9.466 6.916 ( -9.020 0.000 -1.730) 9.185 7.159 ( 10.874 0.000 0.759) 10.901 7.407 ( -14.341 0.000 -2.546) 14.565 8.282 ( 5.735 0.000 9.350) 10.968 8.385 ( -4.770 0.000 1.758) 5.084 8.426 ( 11.395 0.000 1.502) 11.493 8.576 ( -3.043 0.000 -2.062) 3.675 8.977 ( 6.035 0.000 6.420) 8.812 9.118 ( -8.415 0.000 11.491) 14.243 9.227 ( 1.713 0.000 4.173) 4.511 9.310 ( -4.520 0.000 1.196) 4.675 9.564 ( 2.220 0.000 -3.892) 4.481 9.633 ( -5.353 0.000 -15.535) 16.431 10.189 ( 0.812 0.000 9.807) 9.841 10.203 ( -0.751 0.000 9.902) 9.930 10.468 ( 4.457 0.000 -2.614) 5.167 10.552 ( -4.402 0.000 -3.521) 5.637 10.623 ( 7.250 0.000 -19.561) 20.861 10.734 ( -4.335 0.000 -19.726) 20.196 10.966 ( 4.559 0.000 -6.791) 8.179 11.035 ( -2.625 0.000 -6.363) 6.883 11.364 ( 8.197 0.000 8.938) 12.128 11.483 ( 4.495 0.000 1.429) 4.716 11.577 ( -13.255 0.000 6.039) 14.566 11.583 ( -6.028 0.000 2.481) 6.518 12.160 ( 7.580 0.000 3.704) 8.437 12.240 ( 7.958 0.000 -2.312) 8.287 12.291 ( -5.975 0.000 2.293) 6.400 12.414 ( -9.380 0.000 -6.630) 11.487 12.481 ( 2.113 0.000 -2.692) 3.422 12.535 ( -3.446 0.000 -1.542) 3.776 12.825 ( 4.268 0.000 2.701) 5.051 12.904 ( -3.296 0.000 -1.167) 3.496 13.240 ( 3.594 0.000 -3.253) 4.847 13.301 ( -2.696 0.000 -2.453) 3.645 13.753 ( 2.237 0.000 -1.087) 2.487 13.834 ( -5.028 0.000 -1.547) 5.260 14.166 ( 3.763 0.000 -2.675) 4.617 14.217 ( -1.294 0.000 -1.999) 2.381 15.470 ( 19.133 0.000 0.949) 19.156 15.697 ( -4.272 0.000 -0.481) 4.299 16.070 ( 2.772 0.000 0.651) 2.848 16.212 ( -8.833 0.000 2.323) 9.134 16.700 ( 15.227 0.000 11.826) 19.280 16.853 ( 3.859 0.000 8.448) 9.287 17.342 ( -12.666 0.000 7.309) 14.624 17.458 ( -26.578 0.000 11.752) 29.060 20.986 ( 20.505 0.000 9.967) 22.799 21.294 ( -10.433 0.000 6.540) 12.314 21.703 ( 16.600 0.000 4.448) 17.186 22.043 ( -18.199 0.000 1.259) 18.243 22.566 ( 3.248 0.000 0.496) 3.286 22.629 ( -3.127 0.000 0.163) 3.132 23.333 ( 7.131 0.000 -20.475) 21.681 23.417 ( -1.861 0.000 -20.959) 21.041 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 11.339 17.219) 20.617 1.197 ( 0.000 6.853 22.619) 23.634 1.734 ( 0.000 -1.080 10.782) 10.836 1.972 ( 0.000 24.740 29.999) 38.885 2.330 ( 0.000 21.490 19.902) 29.290 2.871 ( 0.000 -3.201 -9.272) 9.809 2.947 ( 0.000 9.588 1.995) 9.793 3.127 ( 0.000 1.668 -1.134) 2.017 3.310 ( 0.000 -6.041 3.254) 6.862 3.657 ( 0.000 13.392 3.985) 13.972 3.698 ( 0.000 -16.031 -3.022) 16.314 3.803 ( 0.000 -12.238 -14.920) 19.297 3.954 ( 0.000 1.200 -0.535) 1.314 4.427 ( 0.000 -1.245 -2.844) 3.105 4.579 ( 0.000 19.458 -2.552) 19.625 4.744 ( 0.000 20.809 0.973) 20.832 5.240 ( 0.000 7.265 1.600) 7.439 5.275 ( 0.000 1.133 10.611) 10.672 5.473 ( 0.000 -1.664 7.084) 7.277 5.606 ( 0.000 9.258 1.321) 9.352 5.720 ( 0.000 7.788 -8.664) 11.650 5.823 ( 0.000 -6.855 4.689) 8.305 6.002 ( 0.000 3.190 -1.939) 3.733 6.173 ( 0.000 -10.521 1.524) 10.630 6.278 ( 0.000 11.402 3.023) 11.796 6.390 ( 0.000 6.479 -9.666) 11.637 6.487 ( 0.000 -2.382 -9.399) 9.696 6.653 ( 0.000 5.146 -3.815) 6.406 6.888 ( 0.000 -2.514 4.508) 5.162 6.894 ( 0.000 5.970 -18.127) 19.084 7.213 ( 0.000 -0.182 -1.015) 1.032 7.835 ( 0.000 -9.162 3.285) 9.733 7.874 ( 0.000 -6.832 3.901) 7.868 7.988 ( 0.000 -7.276 3.492) 8.070 8.527 ( 0.000 1.225 -0.080) 1.228 8.615 ( 0.000 10.699 -3.484) 11.252 8.916 ( 0.000 3.009 0.053) 3.009 9.037 ( 0.000 -16.839 11.745) 20.530 9.248 ( 0.000 -2.694 1.579) 3.122 9.320 ( 0.000 -5.950 -2.690) 6.529 9.604 ( 0.000 4.431 3.343) 5.551 9.892 ( 0.000 2.239 -20.494) 20.616 10.190 ( 0.000 -0.585 -1.680) 1.778 10.218 ( 0.000 -0.176 5.888) 5.891 10.363 ( 0.000 0.491 -9.259) 9.272 10.426 ( 0.000 6.246 -1.834) 6.510 10.619 ( 0.000 -7.908 -8.527) 11.629 10.752 ( 0.000 4.012 -5.626) 6.910 10.981 ( 0.000 6.839 -8.258) 10.722 11.163 ( 0.000 0.467 6.131) 6.148 11.279 ( 0.000 4.818 0.640) 4.860 11.391 ( 0.000 0.338 -0.631) 0.716 11.734 ( 0.000 -6.020 3.505) 6.967 11.850 ( 0.000 -0.191 -1.785) 1.796 12.039 ( 0.000 7.453 5.279) 9.134 12.170 ( 0.000 -1.045 3.960) 4.096 12.283 ( 0.000 -13.095 7.912) 15.300 12.388 ( 0.000 -5.534 -1.770) 5.810 12.405 ( 0.000 -7.721 1.489) 7.863 12.555 ( 0.000 -0.370 3.965) 3.983 12.633 ( 0.000 -13.527 -6.992) 15.227 12.896 ( 0.000 4.856 7.192) 8.678 13.357 ( 0.000 11.304 -4.365) 12.118 13.758 ( 0.000 18.835 -13.401) 23.116 13.863 ( 0.000 -0.511 -1.446) 1.534 13.906 ( 0.000 0.888 -1.175) 1.473 13.983 ( 0.000 1.540 -2.801) 3.197 14.210 ( 0.000 -1.742 -3.209) 3.651 14.933 ( 0.000 11.157 15.857) 19.389 15.645 ( 0.000 -0.197 -1.998) 2.008 16.262 ( 0.000 1.015 -5.853) 5.940 16.395 ( 0.000 1.651 7.899) 8.069 16.515 ( 0.000 0.425 2.732) 2.765 16.621 ( 0.000 2.222 3.941) 4.524 18.216 ( 0.000 17.466 -24.812) 30.343 18.383 ( 0.000 3.884 4.116) 5.659 20.384 ( 0.000 3.444 13.420) 13.855 21.296 ( 0.000 2.073 5.892) 6.246 21.297 ( 0.000 -4.181 4.344) 6.029 22.412 ( 0.000 -5.284 -3.618) 6.404 22.537 ( 0.000 -4.877 1.965) 5.258 22.680 ( 0.000 -1.009 -1.223) 1.585 22.965 ( 0.000 -3.980 -11.292) 11.972 23.168 ( 0.000 -17.782 3.121) 18.054 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 20.707 9.149 14.304) 26.778 1.254 ( 8.076 4.905 20.888) 22.925 1.683 ( -5.202 -0.367 11.678) 12.790 2.060 ( 9.173 23.409 27.720) 37.424 2.259 ( -7.455 21.003 20.496) 30.279 2.844 ( -3.407 -3.498 -4.522) 6.655 2.986 ( 1.554 1.971 -2.054) 3.243 3.049 ( -4.509 6.957 0.923) 8.342 3.260 ( -4.485 -3.310 2.165) 5.980 3.521 ( -8.766 8.475 -0.140) 12.194 3.770 ( 3.651 -14.749 -2.675) 15.428 3.856 ( 3.199 -11.886 -10.339) 16.075 4.017 ( 6.316 4.444 -2.193) 8.028 4.394 ( -3.447 -0.776 -3.314) 4.845 4.597 ( 1.850 19.792 -2.266) 20.007 4.735 ( -1.009 21.080 0.548) 21.112 5.233 ( -0.125 5.957 2.334) 6.399 5.301 ( 1.836 2.296 9.107) 9.570 5.412 ( -4.756 5.000 4.161) 8.058 5.470 ( -7.658 1.906 5.127) 9.410 5.804 ( 5.413 9.071 -3.717) 11.198 5.929 ( 7.614 -8.071 2.281) 11.328 6.066 ( 2.432 2.186 -4.953) 5.935 6.184 ( 1.314 -9.399 0.344) 9.497 6.262 ( 0.710 6.658 0.951) 6.763 6.441 ( 3.029 3.006 -9.857) 10.741 6.469 ( -0.312 2.495 -8.477) 8.842 6.656 ( -1.020 1.795 -1.438) 2.516 6.845 ( -2.818 8.608 -15.606) 18.044 6.930 ( 3.962 -4.527 3.148) 6.789 7.131 ( -6.500 1.327 -3.690) 7.591 7.618 ( -13.095 -4.608 -1.585) 13.973 8.046 ( 9.762 -10.788 10.257) 17.801 8.138 ( 12.226 -4.005 2.545) 13.115 8.520 ( -2.044 0.714 0.647) 2.260 8.583 ( -2.226 7.019 -1.015) 7.433 8.951 ( 4.077 2.616 0.058) 4.845 9.061 ( 1.546 -11.521 9.163) 14.801 9.240 ( -2.305 -2.444 2.986) 4.494 9.273 ( -3.123 -6.461 -1.329) 7.298 9.580 ( -2.023 2.624 1.247) 3.541 9.772 ( -9.702 0.864 -18.034) 20.496 10.239 ( 1.971 0.730 5.710) 6.085 10.250 ( 3.771 2.805 0.252) 4.707 10.408 ( 3.672 -1.374 -11.398) 12.053 10.449 ( 2.353 4.006 -2.728) 5.388 10.587 ( -2.203 -5.153 -7.360) 9.251 10.743 ( -2.076 1.820 -6.268) 6.849 10.996 ( 2.496 6.779 -7.911) 10.713 11.166 ( 0.523 1.533 3.611) 3.958 11.257 ( -1.355 2.537 -0.173) 2.881 11.441 ( 4.080 1.813 -0.276) 4.473 11.643 ( -6.957 -3.978 4.237) 9.065 11.861 ( -3.876 1.886 -1.847) 4.689 12.047 ( 3.912 3.160 8.061) 9.501 12.132 ( -0.031 -1.055 2.920) 3.105 12.321 ( 1.246 -7.305 2.685) 7.882 12.384 ( -0.230 -8.994 -0.188) 8.999 12.425 ( -1.418 -5.162 -2.743) 6.015 12.487 ( -3.975 -6.052 2.395) 7.627 12.638 ( 0.489 -8.879 -0.732) 8.922 12.862 ( -3.126 1.777 6.687) 7.592 13.392 ( 3.136 11.721 -3.964) 12.764 13.656 ( -7.083 14.246 -8.010) 17.812 13.811 ( -1.858 4.397 -2.711) 5.490 13.945 ( 2.722 4.396 -3.113) 6.035 14.091 ( 4.499 0.522 -3.742) 5.875 14.186 ( -0.356 -3.262 -1.369) 3.555 15.167 ( 21.044 10.733 9.191) 25.348 15.694 ( 5.103 1.683 -1.648) 5.620 16.182 ( -6.674 2.778 -4.286) 8.404 16.394 ( -6.923 1.963 2.201) 7.525 16.491 ( 7.110 0.973 8.065) 10.796 16.729 ( 7.742 0.573 5.151) 9.317 17.849 ( -29.193 11.225 -7.490) 32.161 18.089 ( -28.997 4.696 5.146) 29.822 20.614 ( 20.629 3.752 11.634) 23.978 21.344 ( 4.469 0.907 3.988) 6.058 21.460 ( 11.694 -0.088 2.632) 11.987 22.329 ( -11.966 -3.399 -3.006) 12.797 22.483 ( 0.600 -3.545 1.214) 3.795 22.665 ( -1.917 -1.157 -0.569) 2.310 23.066 ( 7.719 -8.504 -12.694) 17.118 23.188 ( 1.948 -17.518 -4.506) 18.193 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 8.496 3.939 17.631) 19.964 1.539 ( -7.315 1.046 14.856) 16.593 1.686 ( 21.947 9.784 14.101) 27.861 2.047 ( -15.007 17.354 19.214) 29.926 2.310 ( 16.568 15.955 18.946) 29.799 2.645 ( -16.713 3.102 6.192) 18.091 2.985 ( 3.002 -3.860 -1.649) 5.160 3.058 ( -2.037 -3.490 1.436) 4.288 3.215 ( 3.144 10.144 -1.575) 10.736 3.350 ( -8.901 11.308 -1.205) 14.441 3.839 ( 3.292 -15.365 -5.079) 16.514 3.880 ( -0.705 -14.230 -7.016) 15.881 4.161 ( 7.913 4.224 -3.879) 9.772 4.299 ( -6.384 1.367 -3.959) 7.635 4.645 ( 3.021 20.324 -1.535) 20.605 4.702 ( -2.568 20.988 -0.537) 21.151 5.243 ( 1.252 6.290 1.179) 6.521 5.288 ( -3.500 6.914 0.286) 7.755 5.362 ( 1.096 2.285 9.878) 10.198 5.392 ( -2.023 0.426 10.649) 10.848 5.893 ( 4.681 7.043 -0.123) 8.457 5.984 ( -3.933 2.274 1.894) 4.922 6.123 ( 5.958 -5.621 -6.904) 10.713 6.197 ( -1.209 -8.960 -4.439) 10.072 6.326 ( 6.139 -2.425 0.045) 6.601 6.445 ( -2.114 -0.573 -7.838) 8.138 6.497 ( 0.827 3.966 -9.428) 10.261 6.548 ( -7.095 1.330 -1.818) 7.444 6.886 ( 5.023 8.762 -9.011) 13.535 6.978 ( -3.714 2.455 -4.733) 6.498 7.104 ( 9.565 -2.517 -2.418) 10.182 7.356 ( -14.353 -2.616 -3.238) 14.944 8.233 ( 9.343 -7.333 10.034) 15.548 8.344 ( 4.341 -6.978 5.525) 9.903 8.445 ( -0.765 3.595 3.635) 5.169 8.542 ( -3.912 1.447 0.025) 4.171 9.051 ( 4.422 3.762 0.467) 5.825 9.074 ( -0.020 -3.073 6.095) 6.826 9.167 ( -1.266 -6.045 4.739) 7.784 9.229 ( -3.789 -5.086 1.451) 6.506 9.551 ( -0.183 -0.036 -4.590) 4.594 9.606 ( -6.348 -0.684 -13.870) 15.269 10.278 ( 1.720 3.599 5.575) 6.855 10.292 ( 0.586 4.931 3.876) 6.299 10.460 ( 1.814 -0.986 -8.438) 8.686 10.484 ( -0.173 -4.735 -8.135) 9.414 10.590 ( 3.419 -0.379 -6.885) 7.696 10.675 ( -4.509 0.092 -7.221) 8.514 11.075 ( 4.965 6.853 -8.389) 11.916 11.155 ( -2.802 7.079 -6.540) 10.037 11.283 ( 5.371 -4.630 5.098) 8.733 11.427 ( -7.701 -5.546 3.023) 9.961 11.602 ( 5.092 6.269 3.315) 8.730 11.732 ( -7.616 6.890 2.052) 10.473 12.160 ( 5.433 -1.610 0.881) 5.734 12.194 ( 6.104 -2.600 0.120) 6.635 12.294 ( -4.915 -1.680 2.676) 5.843 12.334 ( -3.915 -6.082 -3.412) 7.997 12.384 ( 0.154 -8.148 0.385) 8.159 12.417 ( -4.137 -6.586 1.840) 7.992 12.693 ( 4.935 -7.381 3.780) 9.651 12.789 ( -4.579 -4.168 5.212) 8.094 13.456 ( 3.528 11.412 -3.472) 12.439 13.536 ( -5.201 11.674 -4.443) 13.530 13.840 ( 4.101 8.657 -3.751) 10.287 13.927 ( -3.983 7.969 -3.369) 9.524 14.155 ( 3.259 -1.509 -2.687) 4.485 14.196 ( -0.480 -2.222 -2.252) 3.200 15.564 ( 17.436 8.113 -0.834) 19.249 15.774 ( -2.090 7.542 -3.227) 8.466 16.096 ( 2.290 2.425 -0.602) 3.389 16.240 ( -8.832 2.427 0.775) 9.192 16.724 ( 17.037 2.235 11.463) 20.655 16.876 ( 5.817 1.841 7.648) 9.784 17.367 ( -17.231 2.290 5.124) 18.121 17.474 ( -29.080 1.825 10.703) 31.041 21.026 ( 20.206 3.826 8.788) 22.364 21.319 ( -9.154 2.504 5.144) 10.795 21.717 ( 16.031 1.374 3.605) 16.489 22.040 ( -16.919 -0.208 0.794) 16.939 22.535 ( 3.836 -3.007 0.038) 4.875 22.610 ( -3.687 -1.877 -0.189) 4.142 23.189 ( 4.331 -13.358 -16.503) 21.669 23.221 ( 0.689 -15.857 -15.047) 21.871 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 17.563 11.895) 21.212 1.486 ( 0.000 19.278 10.630) 22.015 1.850 ( 0.000 11.499 0.387) 11.505 2.473 ( 0.000 15.993 12.592) 20.356 2.675 ( 0.000 7.407 11.840) 13.966 2.942 ( 0.000 18.049 11.969) 21.657 3.009 ( 0.000 -2.949 -1.804) 3.457 3.154 ( 0.000 -7.124 2.136) 7.437 3.233 ( 0.000 -1.188 -6.936) 7.037 3.322 ( 0.000 -18.308 -1.184) 18.346 3.617 ( 0.000 1.494 -5.494) 5.694 4.014 ( 0.000 19.482 4.382) 19.969 4.015 ( 0.000 1.516 2.519) 2.940 4.330 ( 0.000 -5.585 5.376) 7.752 5.028 ( 0.000 19.656 -1.998) 19.757 5.166 ( 0.000 13.444 -1.169) 13.494 5.350 ( 0.000 9.936 3.074) 10.400 5.379 ( 0.000 2.463 4.387) 5.032 5.468 ( 0.000 2.033 4.966) 5.366 5.702 ( 0.000 -4.523 6.157) 7.640 5.761 ( 0.000 -4.850 -8.551) 9.831 5.838 ( 0.000 13.157 0.082) 13.157 5.952 ( 0.000 -9.414 3.439) 10.022 6.130 ( 0.000 9.174 -0.961) 9.224 6.433 ( 0.000 0.504 -6.702) 6.721 6.450 ( 0.000 3.482 -0.493) 3.517 6.521 ( 0.000 5.005 -9.114) 10.398 6.866 ( 0.000 11.386 -5.449) 12.623 6.914 ( 0.000 7.107 2.230) 7.448 7.042 ( 0.000 8.136 -13.226) 15.529 7.222 ( 0.000 1.000 -0.002) 1.000 7.623 ( 0.000 -7.205 4.557) 8.525 7.752 ( 0.000 -3.886 6.187) 7.306 7.906 ( 0.000 -2.471 -0.357) 2.497 8.447 ( 0.000 -10.241 3.044) 10.683 8.769 ( 0.000 -6.802 1.393) 6.943 8.819 ( 0.000 5.485 2.238) 5.924 8.945 ( 0.000 -0.763 -2.216) 2.343 9.171 ( 0.000 -6.204 -1.960) 6.506 9.206 ( 0.000 -1.732 2.003) 2.648 9.641 ( 0.000 0.952 -6.173) 6.246 9.952 ( 0.000 2.409 -15.088) 15.279 10.053 ( 0.000 -9.101 -15.906) 18.325 10.208 ( 0.000 -6.042 -11.882) 13.330 10.406 ( 0.000 4.689 1.434) 4.903 10.573 ( 0.000 7.364 2.560) 7.796 10.595 ( 0.000 6.410 3.663) 7.383 10.838 ( 0.000 3.533 -1.574) 3.868 11.058 ( 0.000 -7.460 11.505) 13.712 11.079 ( 0.000 2.307 -5.432) 5.901 11.419 ( 0.000 2.251 -1.520) 2.716 11.435 ( 0.000 6.852 -9.168) 11.445 11.635 ( 0.000 -3.433 0.707) 3.505 11.808 ( 0.000 -4.981 2.294) 5.484 11.995 ( 0.000 -12.386 6.579) 14.025 12.034 ( 0.000 -8.451 6.943) 10.937 12.214 ( 0.000 4.666 1.107) 4.796 12.276 ( 0.000 -0.095 8.455) 8.456 12.280 ( 0.000 -5.210 -1.141) 5.333 12.436 ( 0.000 -5.578 -2.080) 5.953 12.655 ( 0.000 8.763 7.673) 11.647 13.011 ( 0.000 6.457 7.097) 9.595 13.569 ( 0.000 7.569 -2.190) 7.879 13.850 ( 0.000 -0.613 -1.250) 1.392 13.878 ( 0.000 -4.841 1.674) 5.122 13.952 ( 0.000 2.408 -4.309) 4.936 14.012 ( 0.000 0.970 -1.696) 1.954 14.134 ( 0.000 -6.137 -2.937) 6.804 15.228 ( 0.000 15.854 13.173) 20.613 15.663 ( 0.000 2.335 -4.893) 5.421 16.283 ( 0.000 0.923 -5.039) 5.123 16.428 ( 0.000 1.401 7.076) 7.213 16.526 ( 0.000 0.527 2.879) 2.927 16.616 ( 0.000 -2.792 4.929) 5.665 18.497 ( 0.000 6.726 -0.314) 6.733 18.588 ( 0.000 15.075 -35.057) 38.161 20.484 ( 0.000 5.983 11.241) 12.734 21.173 ( 0.000 -7.524 4.863) 8.959 21.368 ( 0.000 5.092 2.752) 5.788 22.249 ( 0.000 -10.141 -6.602) 12.100 22.432 ( 0.000 -3.995 4.284) 5.858 22.645 ( 0.000 -2.413 -1.646) 2.921 22.848 ( 0.000 -11.137 8.209) 13.836 22.865 ( 0.000 -5.208 -6.325) 8.193 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 16.574 12.921 10.872) 23.661 1.523 ( 4.616 19.231 9.218) 21.820 1.815 ( -3.339 12.225 1.295) 12.739 2.532 ( 5.496 12.614 9.971) 16.992 2.641 ( -5.684 12.886 15.655) 21.058 2.785 ( -10.196 3.018 4.362) 11.493 3.017 ( -3.645 -1.055 2.523) 4.557 3.063 ( -3.841 1.648 3.317) 5.336 3.294 ( 3.534 -5.983 -8.056) 10.640 3.375 ( 4.077 -12.496 -1.407) 13.219 3.637 ( 2.062 3.518 -3.491) 5.368 3.914 ( -5.313 13.388 3.041) 14.721 4.122 ( 5.610 6.138 4.007) 9.230 4.321 ( -1.009 -4.491 5.178) 6.928 5.049 ( 2.055 20.113 -1.851) 20.303 5.160 ( -0.567 12.273 -0.807) 12.312 5.337 ( -0.715 9.051 2.475) 9.411 5.388 ( 0.609 1.199 5.522) 5.683 5.455 ( -1.126 4.037 3.434) 5.419 5.616 ( -8.796 8.694 -0.724) 12.389 5.768 ( 5.017 -6.436 3.982) 9.080 5.902 ( 3.713 -4.504 -6.630) 8.834 5.976 ( 1.232 -6.819 2.453) 7.351 6.132 ( -0.051 6.508 -2.163) 6.858 6.390 ( -3.694 4.279 -4.148) 7.011 6.510 ( 0.157 1.015 -2.557) 2.756 6.550 ( 6.588 9.485 -5.004) 12.586 6.772 ( -7.216 7.893 -0.361) 10.701 6.934 ( 2.961 5.648 -3.283) 7.173 7.063 ( 1.307 10.558 -11.978) 16.020 7.130 ( -7.355 -0.504 -1.307) 7.487 7.549 ( -8.093 -1.121 -1.074) 8.240 7.836 ( 9.808 -7.916 5.874) 13.906 8.056 ( 10.799 -3.368 5.044) 12.385 8.433 ( -1.143 -9.544 6.189) 11.433 8.693 ( -3.770 1.827 -0.954) 4.297 8.907 ( 4.844 -1.959 2.025) 5.604 8.978 ( 2.886 -2.628 -1.933) 4.355 9.134 ( -3.259 -4.623 -1.364) 5.818 9.198 ( -0.795 -1.809 0.790) 2.128 9.604 ( -3.038 1.095 -7.165) 7.859 9.822 ( -10.046 2.762 -12.481) 16.259 10.111 ( 3.713 -9.752 -15.449) 18.643 10.218 ( 0.633 -6.851 -11.891) 13.738 10.453 ( 3.674 4.887 0.291) 6.121 10.582 ( -1.250 6.159 4.438) 7.694 10.594 ( 2.179 7.459 1.359) 7.889 10.813 ( -2.757 3.555 -0.877) 4.583 11.066 ( 1.928 -4.703 6.805) 8.494 11.111 ( 2.949 1.089 -3.074) 4.397 11.374 ( -3.253 4.993 -7.403) 9.503 11.469 ( -2.653 0.093 -1.465) 3.032 11.580 ( 1.019 -1.820 1.416) 2.521 11.850 ( 0.900 -3.459 -3.660) 5.115 12.007 ( 4.114 -7.329 9.843) 12.943 12.092 ( 3.367 -9.682 6.568) 12.174 12.173 ( -3.145 2.079 -0.758) 3.845 12.274 ( -0.065 -0.494 4.707) 4.733 12.299 ( 0.006 -5.058 3.164) 5.966 12.369 ( -4.790 -4.354 -0.326) 6.481 12.650 ( -0.480 7.907 7.291) 10.767 12.931 ( -7.442 4.971 7.576) 11.726 13.585 ( 1.171 5.778 -0.609) 5.926 13.757 ( -5.725 -0.377 -0.366) 5.749 13.941 ( 3.388 4.567 -3.879) 6.883 13.991 ( 5.081 -2.329 -0.698) 5.633 14.085 ( 4.266 -0.949 -2.499) 5.034 14.093 ( -2.685 -4.998 -0.484) 5.694 15.428 ( 17.738 13.483 7.053) 23.370 15.764 ( 10.765 5.083 -5.204) 12.993 16.242 ( -4.033 2.616 -4.491) 6.579 16.422 ( -4.857 0.404 1.755) 5.180 16.519 ( 6.243 1.562 7.266) 9.706 16.710 ( 7.793 -2.489 6.239) 10.288 18.076 ( -35.154 8.905 -6.411) 36.826 18.248 ( -32.931 9.379 -10.543) 35.826 20.726 ( 21.461 6.825 9.098) 24.288 21.369 ( 10.377 0.227 -1.418) 10.476 21.458 ( 12.065 0.904 2.584) 12.372 22.225 ( -4.929 -6.936 -5.578) 10.174 22.389 ( -1.140 -4.357 2.187) 5.006 22.627 ( -2.316 -2.534 -1.263) 3.658 22.793 ( -1.771 -13.175 4.713) 14.104 22.917 ( 1.844 -9.373 -6.834) 11.746 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 5.608 15.499 7.561) 18.134 1.697 ( -3.403 13.126 5.230) 14.533 1.889 ( 22.141 10.703 7.025) 25.576 2.336 ( -22.224 9.676 9.255) 25.945 2.648 ( 5.054 3.389 5.722) 8.353 2.710 ( -1.423 3.036 9.056) 9.657 2.944 ( -0.785 0.252 4.952) 5.020 2.995 ( -4.278 10.317 6.927) 13.143 3.368 ( 3.925 -8.640 -8.194) 12.537 3.417 ( -0.428 -10.443 -6.014) 12.059 3.700 ( 4.689 9.069 0.957) 10.255 3.806 ( -6.010 13.004 2.800) 14.597 4.219 ( 4.490 2.022 4.338) 6.563 4.287 ( -2.640 -1.551 4.705) 5.614 5.098 ( 2.844 19.289 -1.497) 19.555 5.143 ( -1.523 14.208 -1.033) 14.327 5.338 ( 1.034 6.038 2.286) 6.538 5.378 ( -2.450 1.191 3.543) 4.470 5.444 ( 1.077 6.745 2.614) 7.314 5.491 ( -3.973 7.830 3.424) 9.424 5.865 ( 4.570 -8.235 0.165) 9.419 5.929 ( -1.754 -6.800 -3.013) 7.642 6.029 ( 4.959 -6.974 -2.590) 8.941 6.111 ( -2.739 -0.446 -4.462) 5.254 6.345 ( 0.529 8.013 -0.681) 8.059 6.427 ( -6.796 6.356 1.638) 9.448 6.674 ( 4.118 9.722 -3.838) 11.234 6.706 ( -0.243 6.702 -4.160) 7.892 6.974 ( 0.367 4.395 -0.358) 4.424 7.010 ( -4.260 2.074 -1.031) 4.849 7.150 ( 9.240 4.822 -12.057) 15.937 7.360 ( -11.336 1.604 -7.334) 13.597 8.035 ( 9.749 -8.859 8.842) 15.865 8.164 ( -2.071 -8.643 9.481) 12.995 8.475 ( 7.272 -1.287 4.366) 8.579 8.618 ( -5.548 3.099 -0.437) 6.370 8.970 ( 1.783 -5.758 1.619) 6.241 9.000 ( -1.515 -8.348 0.980) 8.541 9.116 ( 2.869 1.245 -2.663) 4.107 9.174 ( -2.070 -0.823 -1.580) 2.731 9.567 ( 0.197 2.009 -8.913) 9.139 9.641 ( -7.629 3.141 -10.659) 13.479 10.176 ( 2.931 -9.994 -13.162) 16.784 10.216 ( -1.126 -9.014 -12.250) 15.251 10.512 ( 2.392 5.756 0.683) 6.271 10.551 ( -1.839 6.290 2.748) 7.106 10.656 ( 4.134 6.058 0.852) 7.383 10.740 ( -4.479 4.606 0.175) 6.427 11.147 ( 6.315 -3.605 4.055) 8.325 11.186 ( 4.301 1.548 -2.578) 5.248 11.298 ( -4.487 3.275 -8.794) 10.402 11.326 ( -8.453 -3.838 0.995) 9.336 11.704 ( 8.188 2.094 -0.171) 8.453 11.823 ( -3.608 1.007 -1.970) 4.233 12.089 ( -0.091 -3.071 -0.011) 3.072 12.099 ( 0.128 -6.940 0.133) 6.942 12.165 ( 1.883 -7.076 5.134) 8.943 12.211 ( -3.274 -6.419 5.600) 9.126 12.307 ( 1.779 1.026 4.149) 4.629 12.340 ( -0.841 -2.310 5.009) 5.580 12.661 ( 2.770 5.514 7.426) 9.655 12.772 ( -8.176 3.340 8.107) 11.988 13.612 ( 1.917 3.757 0.280) 4.227 13.665 ( -3.801 2.194 0.017) 4.388 13.990 ( 2.172 1.381 0.256) 2.586 14.033 ( -2.579 -2.047 1.540) 3.635 14.106 ( 5.081 -0.221 -4.536) 6.815 14.147 ( 0.864 -1.396 -4.330) 4.631 15.772 ( 16.884 11.454 -3.245) 20.658 15.977 ( 2.429 10.126 -7.840) 13.035 16.165 ( 0.772 3.893 -2.816) 4.866 16.295 ( -7.751 2.276 -1.877) 8.293 16.785 ( 21.651 3.240 10.189) 24.147 16.909 ( 12.904 1.049 7.125) 14.777 17.422 ( -27.902 2.797 3.381) 28.245 17.544 ( -35.740 4.293 3.996) 36.218 21.143 ( 19.632 7.309 5.648) 21.697 21.403 ( -6.332 5.664 1.378) 8.607 21.751 ( 15.734 1.280 0.987) 15.817 22.036 ( -13.461 -0.481 -1.194) 13.522 22.440 ( 5.113 -5.893 -1.097) 7.879 22.548 ( -5.593 -4.099 -1.025) 7.009 22.824 ( 4.537 -17.214 -4.248) 18.302 22.908 ( -2.975 -14.215 -9.177) 17.180 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 19.551 7.345) 20.885 1.930 ( 0.000 22.094 1.885) 22.174 2.170 ( 0.000 18.097 -7.756) 19.689 2.394 ( 0.000 -12.989 -0.972) 13.025 2.826 ( 0.000 -16.842 -5.678) 17.773 2.915 ( 0.000 4.361 8.507) 9.560 2.948 ( 0.000 -16.223 -6.647) 17.532 3.060 ( 0.000 -8.464 -3.301) 9.085 3.157 ( 0.000 12.227 13.658) 18.332 3.409 ( 0.000 22.539 14.960) 27.052 3.687 ( 0.000 -4.434 6.836) 8.148 4.045 ( 0.000 -2.526 6.336) 6.821 4.307 ( 0.000 10.361 7.575) 12.835 4.425 ( 0.000 19.060 3.432) 19.367 5.068 ( 0.000 -8.308 -0.797) 8.346 5.197 ( 0.000 -17.868 -0.150) 17.868 5.516 ( 0.000 13.216 -2.209) 13.399 5.557 ( 0.000 3.493 1.481) 3.794 5.597 ( 0.000 10.668 -0.547) 10.682 5.635 ( 0.000 -1.445 6.017) 6.188 5.668 ( 0.000 -1.881 1.806) 2.607 5.817 ( 0.000 -3.147 1.683) 3.569 6.169 ( 0.000 15.572 0.053) 15.572 6.314 ( 0.000 7.231 -0.766) 7.272 6.430 ( 0.000 -1.647 0.826) 1.842 6.538 ( 0.000 9.036 -0.764) 9.068 6.604 ( 0.000 1.557 -4.227) 4.504 6.921 ( 0.000 -6.105 -7.385) 9.582 7.089 ( 0.000 5.607 -1.965) 5.941 7.240 ( 0.000 6.107 -9.193) 11.037 7.320 ( 0.000 11.564 4.214) 12.308 7.599 ( 0.000 4.464 -1.699) 4.776 7.719 ( 0.000 0.033 1.825) 1.825 7.893 ( 0.000 1.012 0.357) 1.073 8.169 ( 0.000 -12.199 7.043) 14.086 8.681 ( 0.000 -16.395 4.951) 17.126 8.747 ( 0.000 3.853 -6.605) 7.647 8.917 ( 0.000 -1.074 -5.014) 5.128 9.155 ( 0.000 1.053 -1.505) 1.837 9.162 ( 0.000 -2.417 0.098) 2.419 9.677 ( 0.000 2.816 -11.843) 12.173 9.903 ( 0.000 -4.026 -17.012) 17.482 9.974 ( 0.000 -0.426 -15.337) 15.343 10.006 ( 0.000 -10.506 -18.105) 20.932 10.557 ( 0.000 7.997 2.692) 8.438 10.715 ( 0.000 5.815 3.734) 6.911 10.747 ( 0.000 5.873 3.442) 6.807 10.874 ( 0.000 -4.302 3.316) 5.432 10.911 ( 0.000 -1.500 6.423) 6.596 11.069 ( 0.000 -3.315 -3.334) 4.702 11.457 ( 0.000 0.818 1.048) 1.329 11.518 ( 0.000 0.474 -7.458) 7.473 11.582 ( 0.000 -1.691 -2.618) 3.117 11.676 ( 0.000 -5.542 3.539) 6.576 11.809 ( 0.000 -2.674 8.730) 9.130 11.913 ( 0.000 -4.675 2.236) 5.182 12.201 ( 0.000 -1.549 -0.397) 1.599 12.220 ( 0.000 -0.940 3.932) 4.043 12.353 ( 0.000 3.095 5.749) 6.529 12.382 ( 0.000 -0.559 6.033) 6.059 12.918 ( 0.000 16.135 12.289) 20.281 13.182 ( 0.000 10.408 7.100) 12.599 13.593 ( 0.000 -8.580 4.580) 9.726 13.711 ( 0.000 -9.019 6.986) 11.408 13.841 ( 0.000 -0.146 -1.403) 1.411 13.905 ( 0.000 -6.570 -4.434) 7.926 14.023 ( 0.000 0.198 -0.053) 0.205 14.028 ( 0.000 -0.962 2.248) 2.445 15.542 ( 0.000 13.104 8.625) 15.687 15.728 ( 0.000 2.880 -5.114) 5.869 16.302 ( 0.000 1.156 -2.989) 3.204 16.433 ( 0.000 -1.975 6.015) 6.331 16.533 ( 0.000 0.050 3.512) 3.512 16.541 ( 0.000 -2.687 5.240) 5.889 18.648 ( 0.000 7.295 -7.532) 10.486 18.786 ( 0.000 3.930 -28.753) 29.020 20.627 ( 0.000 7.659 9.011) 11.826 20.995 ( 0.000 -9.245 5.751) 10.888 21.517 ( 0.000 9.232 -2.438) 9.549 22.007 ( 0.000 -12.605 -8.318) 15.102 22.406 ( 0.000 1.564 3.520) 3.852 22.576 ( 0.000 -4.213 -1.303) 4.410 22.706 ( 0.000 -3.020 5.577) 6.342 22.763 ( 0.000 -4.274 -1.362) 4.486 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 9.708 16.276 6.494) 20.033 1.968 ( 4.134 22.249 1.484) 22.679 2.143 ( -2.625 17.973 -6.989) 19.462 2.412 ( 2.041 -12.782 -0.368) 12.949 2.765 ( -8.249 -5.253 -2.117) 10.006 2.837 ( -9.276 -5.499 3.775) 11.425 2.911 ( -2.928 -13.813 -5.813) 15.270 3.029 ( 1.484 -7.467 -3.581) 8.414 3.208 ( 4.506 11.208 13.710) 18.272 3.438 ( 1.443 19.018 14.120) 23.730 3.736 ( 4.870 -3.743 7.029) 9.335 4.032 ( -1.683 -2.922 6.398) 7.232 4.321 ( 1.542 11.708 7.644) 14.067 4.423 ( -0.329 18.361 4.147) 18.827 5.070 ( 0.348 -9.338 -0.295) 9.349 5.178 ( -1.987 -15.793 0.727) 15.934 5.512 ( 0.035 10.202 -0.576) 10.218 5.546 ( -0.551 5.119 0.113) 5.150 5.573 ( -1.315 5.608 -0.409) 5.774 5.654 ( 1.412 -3.275 3.705) 5.143 5.730 ( 3.971 2.955 1.267) 5.110 5.830 ( 1.703 -1.251 1.372) 2.520 6.034 ( -9.553 11.762 -0.181) 15.153 6.220 ( -6.894 0.310 -0.584) 6.926 6.529 ( 4.267 4.471 -0.599) 6.210 6.549 ( 1.192 9.497 -1.350) 9.666 6.719 ( 10.573 5.509 -1.036) 11.967 6.946 ( 1.335 -4.996 -5.278) 7.389 7.005 ( -5.156 9.164 -4.750) 11.538 7.099 ( -9.366 1.161 -1.461) 9.550 7.321 ( -2.466 9.759 -2.713) 10.425 7.573 ( -9.304 1.900 -1.773) 9.660 7.753 ( 10.660 1.217 1.040) 10.779 8.043 ( 9.105 3.203 3.351) 10.217 8.184 ( 3.371 -12.063 6.356) 14.045 8.692 ( -1.586 -13.094 1.239) 13.248 8.757 ( 2.699 1.342 -4.456) 5.380 8.932 ( 1.227 -1.170 -5.120) 5.394 9.118 ( -2.814 -0.776 -2.943) 4.146 9.160 ( -0.701 -1.942 1.381) 2.484 9.658 ( -1.506 4.320 -12.446) 13.260 9.853 ( -7.401 -0.369 -14.358) 16.157 9.934 ( 1.128 -5.759 -16.116) 17.151 10.032 ( 0.225 -9.282 -16.428) 18.870 10.591 ( 2.894 7.350 1.978) 8.143 10.705 ( -1.493 4.593 5.179) 7.082 10.742 ( 0.672 5.203 1.134) 5.368 10.861 ( -1.677 -0.346 1.364) 2.189 10.960 ( 4.912 -2.162 6.271) 8.254 11.100 ( 3.260 -3.050 -3.280) 5.539 11.431 ( -6.553 -0.516 -1.465) 6.735 11.454 ( -7.103 -0.350 -5.105) 8.754 11.545 ( 4.747 -0.641 2.496) 5.402 11.755 ( 5.332 -5.367 -2.722) 8.040 11.863 ( 3.948 -3.212 6.964) 8.625 11.966 ( 4.564 -3.944 4.849) 7.739 12.161 ( -4.807 -0.941 2.097) 5.328 12.212 ( 0.423 -2.998 1.051) 3.205 12.314 ( -5.281 2.154 5.410) 7.861 12.358 ( -0.913 1.134 6.249) 6.416 12.910 ( -0.780 16.284 12.378) 20.470 13.089 ( -7.863 10.572 8.352) 15.599 13.587 ( -0.864 -8.040 4.951) 9.482 13.646 ( -3.664 -10.261 6.497) 12.686 13.923 ( 3.720 -2.162 -3.521) 5.560 13.938 ( 2.688 -2.432 0.748) 3.701 14.026 ( 2.751 -0.489 1.758) 3.301 14.067 ( 2.513 -1.148 -0.468) 2.802 15.703 ( 14.910 12.062 2.931) 19.401 15.874 ( 14.519 4.183 -6.010) 16.261 16.287 ( -1.588 1.902 -3.175) 4.028 16.404 ( -3.317 -2.276 2.042) 4.511 16.551 ( 6.133 1.492 6.850) 9.315 16.642 ( 8.336 -3.431 7.160) 11.512 18.239 ( -36.278 7.167 -5.568) 37.396 18.385 ( -36.578 2.716 -15.439) 39.795 20.892 ( 23.024 8.991 5.802) 25.389 21.284 ( 23.445 -7.657 -1.053) 24.686 21.562 ( 3.942 8.378 -2.510) 9.593 22.027 ( 1.207 -11.573 -8.470) 14.392 22.357 ( -3.897 1.665 3.321) 5.383 22.553 ( -2.042 -4.972 -0.416) 5.391 22.628 ( -6.979 -2.654 4.751) 8.850 22.749 ( -2.613 -6.712 -2.130) 7.512 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 8.324 14.940 1.941) 17.212 2.040 ( -2.767 18.577 -1.257) 18.824 2.164 ( 12.471 15.920 -0.215) 20.224 2.480 ( 4.327 -10.207 1.728) 11.220 2.497 ( -17.831 5.669 1.129) 18.745 2.620 ( -9.225 -8.186 0.604) 12.348 2.954 ( 4.147 -16.687 -7.840) 18.898 3.024 ( -2.481 -13.785 -8.245) 16.253 3.321 ( 6.625 15.231 16.073) 23.113 3.423 ( -3.380 16.849 14.962) 22.786 3.852 ( 6.719 -2.722 7.143) 10.177 3.969 ( -5.009 -2.805 6.834) 8.925 4.363 ( 2.584 14.182 7.135) 16.085 4.406 ( -1.620 16.453 5.709) 17.491 5.086 ( 1.538 -11.124 0.865) 11.263 5.129 ( -2.764 -12.868 1.438) 13.240 5.527 ( 0.998 4.714 2.685) 5.516 5.547 ( -1.147 3.329 1.027) 3.668 5.563 ( 2.871 6.464 -4.613) 8.444 5.640 ( -3.592 0.497 -2.230) 4.257 5.790 ( 3.174 4.589 2.734) 6.214 5.855 ( -2.676 4.570 2.277) 5.765 5.946 ( 3.880 0.415 -0.480) 3.932 6.075 ( -7.861 -1.704 -0.606) 8.067 6.581 ( 1.973 11.211 -1.353) 11.463 6.591 ( 1.925 8.071 -0.063) 8.298 6.806 ( -0.548 6.883 -3.753) 7.859 6.876 ( -7.467 7.759 -3.511) 11.326 7.048 ( 9.957 0.989 2.290) 10.265 7.078 ( 4.648 -0.738 -1.496) 4.938 7.242 ( -3.642 3.313 -5.511) 7.390 7.360 ( -12.294 -1.511 -3.380) 12.840 7.957 ( 9.416 3.041 3.470) 10.485 8.082 ( -3.344 3.212 5.915) 7.516 8.370 ( 12.927 -8.949 1.596) 15.803 8.588 ( -8.992 -8.904 -0.496) 12.665 8.840 ( 4.976 -0.909 -3.727) 6.283 8.924 ( -3.026 0.269 -4.792) 5.674 9.096 ( 1.396 -4.173 -2.118) 4.883 9.136 ( -1.844 -3.717 -0.066) 4.150 9.644 ( 0.838 5.590 -12.772) 13.967 9.711 ( -6.186 3.772 -13.051) 14.927 9.972 ( 2.393 -8.854 -14.624) 17.262 10.014 ( -1.835 -9.877 -14.907) 17.976 10.642 ( 2.172 6.674 2.090) 7.323 10.675 ( -1.509 5.390 3.363) 6.530 10.771 ( 2.203 3.470 0.591) 4.153 10.819 ( -2.577 1.657 0.884) 3.189 11.082 ( 7.747 -0.935 4.058) 8.795 11.182 ( 3.852 -1.848 -1.161) 4.427 11.268 ( -7.606 -1.740 -1.619) 7.968 11.322 ( -6.717 -1.182 -6.669) 9.539 11.689 ( 8.763 -0.810 2.466) 9.139 11.818 ( -2.051 -0.025 -1.095) 2.325 11.921 ( 3.937 -8.667 2.470) 9.835 12.016 ( -3.319 -7.052 1.340) 7.908 12.091 ( 2.290 2.486 5.422) 6.389 12.190 ( -6.278 2.923 5.421) 8.795 12.255 ( 3.775 -3.907 2.442) 5.956 12.328 ( -2.816 -1.454 5.502) 6.350 12.901 ( 0.462 16.176 12.341) 20.351 12.952 ( -5.303 13.558 10.939) 18.210 13.576 ( 0.208 -8.983 5.859) 10.727 13.596 ( -1.785 -10.269 6.163) 12.109 13.957 ( 0.813 -0.725 1.201) 1.622 13.964 ( 0.198 0.438 3.177) 3.214 14.099 ( 2.759 -2.805 -1.669) 4.273 14.109 ( 1.380 -2.708 -1.922) 3.596 16.012 ( 14.909 10.499 -5.449) 19.032 16.141 ( 7.449 5.031 -8.163) 12.143 16.241 ( -1.898 3.132 -3.727) 5.226 16.319 ( -5.385 -0.137 -3.085) 6.208 16.844 ( 25.455 2.347 8.956) 27.087 16.916 ( 22.991 -0.512 7.325) 24.135 17.492 ( -37.647 4.083 2.049) 37.923 17.607 ( -41.206 0.944 -1.150) 41.233 21.325 ( 19.488 9.999 1.541) 21.957 21.556 ( -3.247 8.849 -3.617) 10.096 21.727 ( 17.190 -4.560 -2.196) 17.920 21.979 ( -8.004 -6.368 -5.877) 11.797 22.340 ( 3.617 -1.565 0.584) 3.984 22.465 ( -8.221 -2.105 -0.138) 8.487 22.552 ( 2.474 -9.226 1.570) 9.680 22.656 ( -6.601 -9.717 -2.346) 11.979 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 0.000 -17.779 2.125) 17.905 2.033 ( 0.000 17.779 2.125) 17.905 2.409 ( 0.000 -21.049 -1.649) 21.114 2.409 ( 0.000 21.049 -1.649) 21.114 2.572 ( 0.000 -19.297 -9.819) 21.651 2.572 ( 0.000 19.297 -9.819) 21.651 2.957 ( 0.000 -2.694 0.225) 2.703 2.957 ( 0.000 2.694 0.225) 2.703 3.469 ( 0.000 -14.163 15.523) 21.013 3.469 ( 0.000 14.163 15.523) 21.013 3.821 ( 0.000 -16.305 11.498) 19.951 3.821 ( 0.000 16.305 11.498) 19.951 4.680 ( 0.000 -12.153 0.504) 12.164 4.680 ( 0.000 12.153 0.504) 12.164 4.853 ( 0.000 -4.069 1.913) 4.496 4.853 ( 0.000 4.069 1.913) 4.496 5.596 ( 0.000 -1.196 4.430) 4.589 5.596 ( 0.000 1.196 4.430) 4.589 5.635 ( 0.000 -2.364 0.584) 2.435 5.635 ( 0.000 2.364 0.584) 2.435 5.782 ( 0.000 -3.081 -0.734) 3.167 5.782 ( 0.000 3.081 -0.734) 3.167 6.352 ( 0.000 -5.535 2.252) 5.976 6.352 ( 0.000 5.535 2.252) 5.976 6.535 ( 0.000 -9.630 -1.433) 9.736 6.535 ( 0.000 9.630 -1.433) 9.736 6.739 ( 0.000 -8.559 -2.171) 8.830 6.739 ( 0.000 8.559 -2.171) 8.830 7.208 ( 0.000 -6.547 -6.070) 8.929 7.208 ( 0.000 6.547 -6.070) 8.929 7.624 ( 0.000 -10.435 0.631) 10.454 7.624 ( 0.000 10.435 0.631) 10.454 7.739 ( 0.000 -5.492 0.036) 5.492 7.739 ( 0.000 5.492 0.036) 5.492 8.288 ( 0.000 -18.552 3.676) 18.912 8.288 ( 0.000 18.552 3.676) 18.912 8.867 ( 0.000 -5.004 -6.102) 7.891 8.867 ( 0.000 5.004 -6.102) 7.891 9.135 ( 0.000 -0.818 -0.733) 1.099 9.135 ( 0.000 0.818 -0.733) 1.099 9.779 ( 0.000 -7.290 -17.134) 18.621 9.779 ( 0.000 7.290 -17.134) 18.621 9.937 ( 0.000 -2.418 -16.140) 16.320 9.937 ( 0.000 2.418 -16.140) 16.320 10.714 ( 0.000 -7.143 4.233) 8.303 10.714 ( 0.000 7.143 4.233) 8.303 10.800 ( 0.000 -0.631 2.158) 2.249 10.800 ( 0.000 0.631 2.158) 2.249 10.971 ( 0.000 -4.778 1.523) 5.014 10.971 ( 0.000 4.778 1.523) 5.014 11.483 ( 0.000 -2.239 2.944) 3.699 11.483 ( 0.000 2.239 2.944) 3.699 11.592 ( 0.000 -2.705 -4.407) 5.171 11.592 ( 0.000 2.705 -4.407) 5.171 11.834 ( 0.000 -2.995 4.069) 5.053 11.834 ( 0.000 2.995 4.069) 5.053 12.200 ( 0.000 -0.841 2.845) 2.966 12.200 ( 0.000 0.841 2.845) 2.966 12.382 ( 0.000 -0.096 7.232) 7.232 12.382 ( 0.000 0.096 7.232) 7.232 13.285 ( 0.000 -17.793 11.041) 20.940 13.285 ( 0.000 17.793 11.041) 20.940 13.449 ( 0.000 -14.600 8.108) 16.700 13.449 ( 0.000 14.600 8.108) 16.700 13.844 ( 0.000 -0.519 -2.880) 2.926 13.844 ( 0.000 0.519 -2.880) 2.926 14.025 ( 0.000 -0.028 1.628) 1.628 14.025 ( 0.000 0.028 1.628) 1.628 15.728 ( 0.000 -4.119 0.828) 4.201 15.728 ( 0.000 4.119 0.828) 4.201 16.352 ( 0.000 -3.971 1.935) 4.417 16.352 ( 0.000 3.971 1.935) 4.417 16.528 ( 0.000 -0.359 4.502) 4.516 16.528 ( 0.000 0.359 4.502) 4.516 18.775 ( 0.000 -4.155 -17.419) 17.907 18.775 ( 0.000 4.155 -17.419) 17.907 20.802 ( 0.000 -9.053 7.143) 11.532 20.802 ( 0.000 9.053 7.143) 11.532 21.744 ( 0.000 -12.186 -6.931) 14.019 21.744 ( 0.000 12.186 -6.931) 14.019 22.478 ( 0.000 -4.718 0.739) 4.776 22.478 ( 0.000 4.718 0.739) 4.776 22.698 ( 0.000 -1.732 2.266) 2.852 22.698 ( 0.000 1.732 2.266) 2.852 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 4.849 -15.984 1.859) 16.806 2.079 ( 4.849 15.984 1.859) 16.806 2.444 ( 3.392 -20.614 -1.532) 20.948 2.444 ( 3.392 20.614 -1.532) 20.948 2.529 ( -4.370 -16.257 -9.175) 19.173 2.529 ( -4.370 16.257 -9.175) 19.173 2.881 ( -7.429 -2.942 -0.659) 8.017 2.881 ( -7.429 2.942 -0.659) 8.017 3.524 ( 5.495 -14.154 15.325) 21.573 3.524 ( 5.495 14.154 15.325) 21.573 3.816 ( -0.955 -15.388 11.821) 19.428 3.816 ( -0.955 15.388 11.821) 19.428 4.696 ( 1.645 -11.936 1.022) 12.092 4.696 ( 1.645 11.936 1.022) 12.092 4.842 ( -1.332 -6.246 2.343) 6.803 4.842 ( -1.332 6.246 2.343) 6.803 5.588 ( -0.991 -1.836 3.453) 4.034 5.588 ( -0.991 1.836 3.453) 4.034 5.614 ( -1.226 -1.088 0.110) 1.643 5.614 ( -1.226 1.088 0.110) 1.643 5.823 ( 3.655 -1.730 -0.316) 4.056 5.823 ( 3.655 1.730 -0.316) 4.056 6.197 ( -10.466 -3.115 1.115) 10.976 6.197 ( -10.466 3.115 1.115) 10.976 6.654 ( 6.404 -7.118 -2.197) 9.823 6.654 ( 6.404 7.118 -2.197) 9.823 6.802 ( 6.769 -6.803 0.227) 9.600 6.802 ( 6.769 6.803 0.227) 9.600 7.107 ( -7.825 -4.324 -5.844) 10.680 7.107 ( -7.825 4.324 -5.844) 10.680 7.505 ( -10.044 -8.162 1.906) 13.081 7.505 ( -10.044 8.162 1.906) 13.081 7.895 ( 12.497 -10.558 -0.635) 16.372 7.895 ( 12.497 10.558 -0.635) 16.372 8.322 ( 1.986 -17.786 2.561) 18.079 8.322 ( 1.986 17.786 2.561) 18.079 8.878 ( 1.379 -5.470 -5.921) 8.178 8.878 ( 1.379 5.470 -5.921) 8.178 9.106 ( -3.033 -1.827 -1.509) 3.849 9.106 ( -3.033 1.827 -1.509) 3.849 9.775 ( -0.153 -6.283 -15.858) 17.058 9.775 ( -0.153 6.283 -15.858) 17.058 9.904 ( -3.172 -2.479 -15.435) 15.951 9.904 ( -3.172 2.479 -15.435) 15.951 10.722 ( 1.039 -4.070 3.338) 5.366 10.722 ( 1.039 4.070 3.338) 5.366 10.804 ( 0.003 -2.203 1.652) 2.754 10.804 ( 0.003 2.203 1.652) 2.754 11.010 ( 4.137 -4.566 0.989) 6.240 11.010 ( 4.137 4.566 0.989) 6.240 11.426 ( -6.552 -0.950 -0.187) 6.623 11.426 ( -6.552 0.950 -0.187) 6.623 11.615 ( 4.374 -6.260 -0.229) 7.640 11.615 ( 4.374 6.260 -0.229) 7.640 11.889 ( 3.710 -3.454 3.428) 6.119 11.889 ( 3.710 3.454 3.428) 6.119 12.168 ( -2.607 -1.398 2.729) 4.025 12.168 ( -2.607 1.398 2.729) 4.025 12.355 ( -3.006 -1.451 6.339) 7.164 12.355 ( -3.006 1.451 6.339) 7.164 13.273 ( -1.034 -15.336 11.060) 18.936 13.273 ( -1.034 15.336 11.060) 18.936 13.375 ( -5.279 -12.459 9.216) 16.371 13.375 ( -5.279 12.459 9.216) 16.371 13.916 ( 5.314 -0.956 -2.091) 5.790 13.916 ( 5.314 0.956 -2.091) 5.790 14.036 ( 0.895 -1.406 1.763) 2.426 14.036 ( 0.895 1.406 1.763) 2.426 15.883 ( 14.832 -4.251 -2.777) 15.677 15.883 ( 14.832 4.251 -2.777) 15.677 16.338 ( -1.464 -3.272 0.346) 3.601 16.338 ( -1.464 3.272 0.346) 3.601 16.585 ( 7.041 -2.003 6.986) 10.119 16.585 ( 7.041 2.003 6.986) 10.119 18.364 ( -37.009 -4.184 -10.492) 38.695 18.364 ( -37.009 4.184 -10.492) 38.695 21.093 ( 24.564 -9.928 2.313) 26.596 21.093 ( 24.564 9.928 2.313) 26.596 21.777 ( 2.722 -11.745 -7.226) 14.056 21.777 ( 2.722 11.745 -7.226) 14.056 22.438 ( -3.571 -5.391 1.660) 6.676 22.438 ( -3.571 5.391 1.660) 6.676 22.643 ( -5.669 -3.288 1.400) 6.701 22.643 ( -5.669 3.288 1.400) 6.701 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 8.897 -12.605 0.459) 15.436 2.213 ( 8.897 12.605 0.459) 15.436 2.389 ( -8.659 -13.255 -2.622) 16.048 2.389 ( -8.659 13.255 -2.622) 16.048 2.555 ( 6.889 -19.086 -4.865) 20.866 2.555 ( 6.889 19.086 -4.865) 20.866 2.712 ( -9.253 -12.857 -3.011) 16.124 2.712 ( -9.253 12.857 -3.011) 16.124 3.653 ( 7.181 -14.008 14.360) 21.307 3.653 ( 7.181 14.008 14.360) 21.307 3.768 ( -4.372 -14.254 12.923) 19.730 3.768 ( -4.372 14.254 12.923) 19.730 4.741 ( 3.011 -10.605 2.152) 11.233 4.741 ( 3.011 10.605 2.152) 11.233 4.801 ( -2.898 -8.672 2.793) 9.561 4.801 ( -2.898 8.672 2.793) 9.561 5.576 ( 0.177 -0.644 0.899) 1.120 5.576 ( 0.177 0.644 0.899) 1.120 5.593 ( -1.241 -1.208 0.430) 1.784 5.593 ( -1.241 1.208 0.430) 1.784 5.906 ( 5.018 -2.615 0.280) 5.665 5.906 ( 5.018 2.615 0.280) 5.665 6.023 ( -7.574 -4.012 0.776) 8.606 6.023 ( -7.574 4.012 0.776) 8.606 6.757 ( 5.490 -5.388 -3.787) 8.574 6.757 ( 5.490 5.388 -3.787) 8.574 6.866 ( -4.426 -4.954 -2.550) 7.116 6.866 ( -4.426 4.954 -2.550) 7.116 7.073 ( 8.224 -4.303 0.026) 9.282 7.073 ( 8.224 4.303 0.026) 9.282 7.286 ( -12.240 -5.136 2.583) 13.523 7.286 ( -12.240 5.136 2.583) 13.523 8.137 ( 11.744 -11.812 -0.694) 16.671 8.137 ( 11.744 11.812 -0.694) 16.671 8.302 ( -4.938 -15.054 0.498) 15.851 8.302 ( -4.938 15.054 0.498) 15.851 8.931 ( 4.288 -5.445 -4.714) 8.382 8.931 ( 4.288 5.445 -4.714) 8.382 9.026 ( -5.099 -4.035 -3.029) 7.173 9.026 ( -5.099 4.035 -3.029) 7.173 9.786 ( 1.548 -5.034 -14.183) 15.129 9.786 ( 1.548 5.034 -14.183) 15.129 9.836 ( -3.487 -4.166 -14.306) 15.303 9.836 ( -3.487 4.166 -14.306) 15.303 10.754 ( 2.097 -1.204 2.026) 3.155 10.754 ( 2.097 1.204 2.026) 3.155 10.790 ( -1.458 -1.962 1.419) 2.826 10.790 ( -1.458 1.962 1.419) 2.826 11.121 ( 7.195 -3.517 -0.541) 8.027 11.121 ( 7.195 3.517 -0.541) 8.027 11.274 ( -8.584 -2.261 -1.343) 8.977 11.274 ( -8.584 2.261 -1.343) 8.977 11.744 ( 8.196 -5.816 2.015) 10.250 11.744 ( 8.196 5.816 2.015) 10.250 11.886 ( -5.157 -4.763 3.068) 7.661 11.886 ( -5.157 4.763 3.068) 7.661 12.168 ( 3.719 -4.215 3.020) 6.382 12.168 ( 3.719 4.215 3.020) 6.382 12.269 ( -5.650 -3.784 4.536) 8.174 12.269 ( -5.650 3.784 4.536) 8.174 13.263 ( 0.486 -8.315 11.378) 14.101 13.263 ( 0.486 8.315 11.378) 14.101 13.297 ( -2.925 -7.582 11.149) 13.796 13.297 ( -2.925 7.582 11.149) 13.796 14.000 ( 3.358 -1.929 -0.465) 3.900 14.000 ( 3.358 1.929 -0.465) 3.900 14.040 ( -0.826 -1.895 1.141) 2.361 14.040 ( -0.826 1.895 1.141) 2.361 16.165 ( 11.149 -3.287 -7.189) 13.666 16.165 ( 11.149 3.287 -7.189) 13.666 16.292 ( -3.677 -1.994 -3.341) 5.353 16.292 ( -3.677 1.994 -3.341) 5.353 16.888 ( 27.266 -1.932 8.102) 28.510 16.888 ( 27.266 1.932 8.102) 28.510 17.577 ( -42.027 -3.391 -0.501) 42.166 17.577 ( -42.027 3.391 -0.501) 42.166 21.544 ( 19.940 -10.250 -2.423) 22.550 21.544 ( 19.940 10.250 -2.423) 22.550 21.783 ( -4.661 -10.791 -6.315) 13.344 21.783 ( -4.661 10.791 -6.315) 13.344 22.397 ( 1.183 -5.856 2.040) 6.312 22.397 ( 1.183 5.856 2.040) 6.312 22.501 ( -8.178 -5.066 0.532) 9.635 22.501 ( -8.178 5.066 0.532) 9.635 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 0.000 19.944) 19.944 1.710 ( 0.000 0.000 26.452) 26.452 2.154 ( 0.000 0.000 16.734) 16.734 2.172 ( 0.000 0.000 16.194) 16.194 2.432 ( 0.000 0.000 19.053) 19.053 2.771 ( 0.000 0.000 1.379) 1.379 2.855 ( 0.000 0.000 0.297) 0.297 3.140 ( 0.000 0.000 2.938) 2.938 3.494 ( 0.000 0.000 7.448) 7.448 3.530 ( 0.000 0.000 -16.545) 16.545 3.547 ( 0.000 0.000 0.456) 0.456 3.837 ( 0.000 0.000 -15.732) 15.732 3.886 ( 0.000 0.000 -8.216) 8.216 4.250 ( 0.000 0.000 -4.118) 4.118 4.347 ( 0.000 0.000 1.454) 1.454 4.599 ( 0.000 0.000 10.600) 10.600 5.179 ( 0.000 0.000 -3.323) 3.323 5.321 ( 0.000 0.000 -4.925) 4.925 5.524 ( 0.000 0.000 1.657) 1.657 5.555 ( 0.000 0.000 12.434) 12.434 5.854 ( 0.000 0.000 17.431) 17.431 5.891 ( 0.000 0.000 -4.874) 4.874 6.017 ( 0.000 0.000 -14.854) 14.854 6.020 ( 0.000 0.000 5.999) 5.999 6.217 ( 0.000 0.000 -17.106) 17.106 6.218 ( 0.000 0.000 4.182) 4.182 6.391 ( 0.000 0.000 -11.375) 11.375 6.455 ( 0.000 0.000 -10.350) 10.350 6.599 ( 0.000 0.000 7.589) 7.589 7.051 ( 0.000 0.000 7.094) 7.094 7.202 ( 0.000 0.000 -1.106) 1.106 7.809 ( 0.000 0.000 -4.123) 4.123 7.994 ( 0.000 0.000 1.731) 1.731 8.317 ( 0.000 0.000 -9.736) 9.736 8.477 ( 0.000 0.000 5.591) 5.591 8.547 ( 0.000 0.000 21.127) 21.127 8.969 ( 0.000 0.000 8.153) 8.153 9.183 ( 0.000 0.000 -15.846) 15.846 9.217 ( 0.000 0.000 -10.912) 10.912 9.332 ( 0.000 0.000 -19.795) 19.795 9.546 ( 0.000 0.000 2.738) 2.738 9.693 ( 0.000 0.000 12.682) 12.682 10.007 ( 0.000 0.000 -17.611) 17.611 10.266 ( 0.000 0.000 -2.176) 2.176 10.302 ( 0.000 0.000 3.565) 3.565 10.415 ( 0.000 0.000 5.765) 5.765 10.518 ( 0.000 0.000 -13.344) 13.344 10.564 ( 0.000 0.000 -6.654) 6.654 10.716 ( 0.000 0.000 -2.916) 2.916 10.946 ( 0.000 0.000 -7.823) 7.823 11.429 ( 0.000 0.000 3.974) 3.974 11.574 ( 0.000 0.000 14.013) 14.013 11.795 ( 0.000 0.000 -2.628) 2.628 11.904 ( 0.000 0.000 0.827) 0.827 12.081 ( 0.000 0.000 11.568) 11.568 12.219 ( 0.000 0.000 1.408) 1.408 12.346 ( 0.000 0.000 -2.655) 2.655 12.419 ( 0.000 0.000 -5.904) 5.904 12.451 ( 0.000 0.000 0.329) 0.329 12.692 ( 0.000 0.000 4.463) 4.463 12.867 ( 0.000 0.000 -2.183) 2.183 12.934 ( 0.000 0.000 3.166) 3.166 13.024 ( 0.000 0.000 -7.121) 7.121 13.287 ( 0.000 0.000 -5.046) 5.046 13.836 ( 0.000 0.000 -1.768) 1.768 13.851 ( 0.000 0.000 -2.273) 2.273 13.906 ( 0.000 0.000 -2.173) 2.173 14.133 ( 0.000 0.000 -5.878) 5.878 15.190 ( 0.000 0.000 20.990) 20.990 15.643 ( 0.000 0.000 -0.078) 0.078 16.119 ( 0.000 0.000 -6.641) 6.641 16.561 ( 0.000 0.000 8.660) 8.660 16.572 ( 0.000 0.000 3.282) 3.282 16.631 ( 0.000 0.000 -0.493) 0.493 17.803 ( 0.000 0.000 -6.795) 6.795 18.392 ( 0.000 0.000 -1.272) 1.272 20.676 ( 0.000 0.000 18.876) 18.876 21.406 ( 0.000 0.000 6.097) 6.097 21.430 ( 0.000 0.000 4.539) 4.539 22.303 ( 0.000 0.000 -15.501) 15.501 22.620 ( 0.000 0.000 1.866) 1.866 22.668 ( 0.000 0.000 -0.489) 0.489 22.840 ( 0.000 0.000 -2.977) 2.977 23.250 ( 0.000 0.000 -8.584) 8.584 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 20.794 0.000 17.257) 27.022 1.748 ( 3.932 0.000 25.072) 25.379 2.105 ( -4.868 0.000 17.087) 17.767 2.257 ( 7.721 0.000 18.087) 19.666 2.403 ( -3.530 0.000 22.438) 22.713 2.764 ( 0.674 0.000 -4.942) 4.988 2.898 ( 4.341 0.000 0.732) 4.402 3.061 ( -7.774 0.000 4.317) 8.892 3.334 ( -9.085 0.000 -0.217) 9.088 3.438 ( -10.239 0.000 -1.484) 10.346 3.701 ( 10.194 0.000 -8.596) 13.335 3.864 ( 2.385 0.000 -14.522) 14.716 3.914 ( 2.006 0.000 -8.243) 8.484 4.210 ( -4.572 0.000 -7.633) 8.898 4.364 ( 2.156 0.000 4.769) 5.234 4.574 ( -2.549 0.000 9.632) 9.963 5.174 ( -0.277 0.000 -2.452) 2.468 5.272 ( -3.581 0.000 0.082) 3.582 5.582 ( 2.340 0.000 13.305) 13.509 5.604 ( 6.558 0.000 -4.280) 7.831 5.761 ( -5.774 0.000 17.226) 18.168 5.900 ( 0.085 0.000 -8.051) 8.052 6.046 ( 2.834 0.000 -12.215) 12.539 6.139 ( 7.997 0.000 1.611) 8.157 6.177 ( -1.256 0.000 -2.702) 2.980 6.241 ( 0.210 0.000 -9.081) 9.084 6.379 ( -1.097 0.000 -8.998) 9.065 6.425 ( -3.104 0.000 -9.575) 10.065 6.650 ( 5.415 0.000 8.232) 9.853 7.087 ( 3.372 0.000 5.381) 6.350 7.116 ( -7.564 0.000 1.196) 7.658 7.629 ( -12.550 0.000 -1.207) 12.608 8.173 ( 11.967 0.000 -2.110) 12.152 8.367 ( 4.265 0.000 -10.963) 11.763 8.474 ( -0.171 0.000 6.988) 6.990 8.533 ( -1.426 0.000 17.941) 17.998 9.020 ( 5.203 0.000 9.145) 10.522 9.151 ( -2.520 0.000 -13.172) 13.410 9.205 ( -2.932 0.000 -21.905) 22.101 9.360 ( 4.410 0.000 -6.609) 7.945 9.482 ( -6.322 0.000 4.510) 7.766 9.674 ( -1.746 0.000 8.521) 8.698 10.101 ( 8.060 0.000 -15.868) 17.798 10.270 ( 0.456 0.000 -2.085) 2.134 10.304 ( 0.033 0.000 2.286) 2.286 10.431 ( 1.612 0.000 4.932) 5.189 10.479 ( -3.831 0.000 -13.217) 13.761 10.547 ( -1.525 0.000 -3.267) 3.606 10.748 ( 3.080 0.000 -5.548) 6.346 10.932 ( -1.526 0.000 -8.051) 8.195 11.454 ( 2.589 0.000 3.632) 4.460 11.548 ( -1.699 0.000 13.227) 13.336 11.732 ( -5.341 0.000 -0.361) 5.353 11.848 ( -6.033 0.000 1.673) 6.261 12.152 ( 6.155 0.000 9.468) 11.293 12.183 ( -2.346 0.000 0.433) 2.385 12.355 ( 0.942 0.000 -1.545) 1.810 12.387 ( -3.797 0.000 -6.968) 7.935 12.437 ( -1.344 0.000 0.087) 1.347 12.635 ( -5.272 0.000 3.250) 6.193 12.847 ( -0.686 0.000 0.368) 0.778 12.935 ( -0.137 0.000 2.214) 2.218 13.070 ( 4.064 0.000 -6.257) 7.461 13.271 ( -1.625 0.000 -5.102) 5.354 13.756 ( -3.090 0.000 -0.669) 3.161 13.869 ( -0.608 0.000 -0.834) 1.032 13.994 ( 5.306 0.000 -4.673) 7.071 14.142 ( 0.931 0.000 -5.163) 5.246 15.303 ( 10.302 0.000 14.149) 17.503 15.683 ( 3.300 0.000 0.454) 3.332 16.064 ( -3.714 0.000 -4.066) 5.506 16.417 ( -8.689 0.000 1.153) 8.765 16.658 ( 9.664 0.000 8.009) 12.551 16.818 ( 12.066 0.000 4.823) 12.995 17.662 ( -13.054 0.000 -2.623) 13.315 18.145 ( -23.423 0.000 1.767) 23.490 20.856 ( 16.358 0.000 15.727) 22.692 21.446 ( 2.759 0.000 5.320) 5.993 21.529 ( 9.539 0.000 3.495) 10.159 22.237 ( -7.637 0.000 -11.690) 13.964 22.558 ( -1.870 0.000 2.581) 3.187 22.674 ( -1.164 0.000 0.004) 1.164 22.904 ( 4.852 0.000 -8.116) 9.456 23.196 ( -5.257 0.000 -10.031) 11.325 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 6.627 0.000 21.872) 22.854 1.863 ( 21.777 0.000 16.767) 27.484 1.986 ( -7.143 0.000 18.763) 20.077 2.206 ( -13.573 0.000 20.649) 24.710 2.496 ( 13.148 0.000 18.329) 22.557 2.746 ( -9.458 0.000 4.976) 10.688 2.973 ( 6.042 0.000 -4.183) 7.349 3.011 ( 7.254 0.000 1.345) 7.377 3.165 ( -8.688 0.000 1.149) 8.763 3.199 ( -13.930 0.000 -5.093) 14.832 3.898 ( 10.314 0.000 -9.571) 14.070 3.911 ( 2.176 0.000 -12.047) 12.242 3.935 ( -0.113 0.000 -9.674) 9.675 4.081 ( -8.615 0.000 -9.573) 12.879 4.427 ( 4.113 0.000 6.720) 7.879 4.508 ( -4.156 0.000 7.917) 8.942 5.179 ( 0.955 0.000 0.112) 0.962 5.213 ( -2.523 0.000 1.844) 3.125 5.627 ( 2.287 0.000 14.834) 15.009 5.676 ( -3.240 0.000 16.327) 16.645 5.736 ( 6.943 0.000 -8.937) 11.317 5.854 ( -4.961 0.000 -10.888) 11.966 6.117 ( 4.103 0.000 -8.450) 9.393 6.174 ( -1.007 0.000 -3.107) 3.266 6.252 ( 2.735 0.000 -9.157) 9.556 6.267 ( 5.430 0.000 -3.578) 6.503 6.342 ( -5.324 0.000 -7.715) 9.374 6.346 ( -2.778 0.000 -5.973) 6.587 6.790 ( 8.381 0.000 7.626) 11.332 6.950 ( -8.648 0.000 4.888) 9.933 7.196 ( 7.988 0.000 2.744) 8.446 7.391 ( -11.985 0.000 0.723) 12.007 8.366 ( 7.283 0.000 -7.242) 10.271 8.428 ( 0.768 0.000 -11.272) 11.298 8.478 ( 0.700 0.000 9.593) 9.619 8.501 ( -1.651 0.000 13.058) 13.162 9.110 ( -0.780 0.000 -14.426) 14.447 9.137 ( -3.178 0.000 -18.256) 18.531 9.155 ( 8.555 0.000 9.534) 12.809 9.328 ( -9.181 0.000 7.660) 11.957 9.484 ( 7.636 0.000 0.319) 7.643 9.613 ( -5.156 0.000 4.161) 6.625 10.257 ( 7.640 0.000 -14.590) 16.469 10.282 ( 0.814 0.000 -1.434) 1.649 10.298 ( -0.662 0.000 0.068) 0.666 10.384 ( -5.881 0.000 -13.659) 14.871 10.470 ( 2.302 0.000 3.128) 3.884 10.512 ( -2.080 0.000 0.772) 2.219 10.818 ( 3.953 0.000 -7.958) 8.886 10.888 ( -3.108 0.000 -8.403) 8.960 11.524 ( 4.596 0.000 2.760) 5.361 11.560 ( 3.901 0.000 10.020) 10.753 11.624 ( -5.721 0.000 1.554) 5.929 11.693 ( -9.023 0.000 5.431) 10.532 12.182 ( 2.814 0.000 -3.382) 4.399 12.274 ( 5.969 0.000 7.428) 9.529 12.279 ( -6.537 0.000 -6.478) 9.203 12.357 ( -2.203 0.000 4.027) 4.590 12.432 ( 2.395 0.000 -2.212) 3.261 12.521 ( -6.081 0.000 0.871) 6.143 12.870 ( 2.590 0.000 1.715) 3.106 12.918 ( -1.900 0.000 1.560) 2.459 13.153 ( 4.317 0.000 -5.551) 7.032 13.225 ( -3.170 0.000 -5.257) 6.139 13.748 ( 2.184 0.000 0.470) 2.233 13.817 ( -4.166 0.000 -0.175) 4.170 14.087 ( 4.308 0.000 -4.855) 6.490 14.144 ( -1.375 0.000 -4.906) 5.095 15.510 ( 10.317 0.000 2.336) 10.578 15.674 ( -5.850 0.000 -1.877) 6.144 16.090 ( 7.085 0.000 2.044) 7.374 16.253 ( -8.783 0.000 1.609) 8.929 16.922 ( 16.666 0.000 9.496) 19.182 17.046 ( 9.368 0.000 11.059) 14.493 17.409 ( -8.962 0.000 0.711) 8.990 17.631 ( -26.673 0.000 5.574) 27.249 21.190 ( 16.526 0.000 10.498) 19.578 21.422 ( -6.819 0.000 6.292) 9.278 21.764 ( 14.232 0.000 1.621) 14.324 22.031 ( -13.067 0.000 -3.403) 13.503 22.576 ( 2.742 0.000 0.635) 2.815 22.633 ( -2.850 0.000 0.303) 2.866 22.989 ( 4.282 0.000 -13.359) 14.029 23.082 ( -5.777 0.000 -13.291) 14.492 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.000 7.397 18.068) 19.523 1.642 ( 0.000 -1.646 22.367) 22.428 1.994 ( 0.000 -7.549 14.639) 16.471 2.390 ( 0.000 11.052 6.404) 12.773 2.683 ( 0.000 16.374 16.466) 23.222 2.848 ( 0.000 11.802 12.152) 16.940 2.969 ( 0.000 6.929 -0.632) 6.958 3.117 ( 0.000 -1.005 -0.543) 1.142 3.374 ( 0.000 -7.616 2.917) 8.156 3.454 ( 0.000 -7.070 -17.166) 18.565 3.661 ( 0.000 -13.611 -2.857) 13.908 3.746 ( 0.000 14.520 5.091) 15.387 3.885 ( 0.000 5.051 -7.283) 8.863 4.330 ( 0.000 3.767 -6.620) 7.616 4.573 ( 0.000 19.276 2.583) 19.449 4.805 ( 0.000 16.730 5.827) 17.716 5.276 ( 0.000 7.292 0.633) 7.319 5.426 ( 0.000 9.744 -9.094) 13.329 5.469 ( 0.000 -3.614 7.571) 8.389 5.643 ( 0.000 6.374 2.321) 6.783 5.793 ( 0.000 -6.148 13.098) 14.469 5.903 ( 0.000 0.044 -1.135) 1.136 6.001 ( 0.000 1.495 7.183) 7.337 6.046 ( 0.000 0.464 -12.476) 12.484 6.227 ( 0.000 2.113 -10.760) 10.965 6.276 ( 0.000 -5.367 -10.903) 12.152 6.329 ( 0.000 8.015 2.112) 8.288 6.584 ( 0.000 6.738 -5.678) 8.811 6.653 ( 0.000 7.289 -0.295) 7.295 6.989 ( 0.000 -4.412 6.079) 7.511 7.189 ( 0.000 -0.437 -1.501) 1.564 7.782 ( 0.000 -2.694 -4.797) 5.502 7.953 ( 0.000 -3.477 3.570) 4.984 8.152 ( 0.000 -12.405 5.543) 13.587 8.529 ( 0.000 -1.857 4.040) 4.446 8.628 ( 0.000 12.667 5.858) 13.956 8.950 ( 0.000 -3.001 -0.434) 3.032 9.145 ( 0.000 -6.457 -14.549) 15.918 9.195 ( 0.000 0.719 -7.558) 7.592 9.204 ( 0.000 -14.339 -0.192) 14.340 9.509 ( 0.000 1.403 -1.431) 2.004 9.743 ( 0.000 3.298 1.862) 3.787 9.907 ( 0.000 -8.348 -17.516) 19.403 10.216 ( 0.000 -13.582 -9.095) 16.347 10.367 ( 0.000 3.340 3.743) 5.017 10.420 ( 0.000 11.344 1.199) 11.408 10.540 ( 0.000 4.653 1.650) 4.937 10.633 ( 0.000 6.114 -5.933) 8.520 10.864 ( 0.000 8.276 -4.533) 9.436 11.057 ( 0.000 8.548 -9.368) 12.682 11.419 ( 0.000 -0.399 3.525) 3.547 11.476 ( 0.000 -8.029 11.314) 13.873 11.805 ( 0.000 -7.000 3.186) 7.691 11.821 ( 0.000 1.116 -1.065) 1.542 12.143 ( 0.000 4.319 4.724) 6.401 12.234 ( 0.000 -0.726 3.036) 3.122 12.321 ( 0.000 -4.695 -2.505) 5.322 12.352 ( 0.000 -3.295 -2.250) 3.990 12.439 ( 0.000 -2.263 2.494) 3.368 12.584 ( 0.000 -14.213 1.952) 14.347 12.668 ( 0.000 2.291 7.166) 7.523 13.000 ( 0.000 4.944 3.516) 6.066 13.243 ( 0.000 12.654 -7.321) 14.620 13.527 ( 0.000 16.502 -10.337) 19.472 13.842 ( 0.000 0.188 -0.545) 0.576 13.881 ( 0.000 2.174 -1.365) 2.567 13.927 ( 0.000 1.930 -2.714) 3.330 14.120 ( 0.000 -1.233 -5.521) 5.657 15.288 ( 0.000 8.751 19.311) 21.201 15.620 ( 0.000 -1.999 -0.530) 2.068 16.137 ( 0.000 1.615 -6.187) 6.394 16.569 ( 0.000 0.637 7.986) 8.011 16.576 ( 0.000 0.394 3.244) 3.267 16.675 ( 0.000 3.299 0.731) 3.379 17.863 ( 0.000 5.894 -11.186) 12.644 18.406 ( 0.000 1.288 -2.464) 2.780 20.694 ( 0.000 1.647 17.794) 17.870 21.390 ( 0.000 -3.737 4.843) 6.117 21.409 ( 0.000 0.367 5.265) 5.278 22.232 ( 0.000 -6.581 -15.106) 16.478 22.581 ( 0.000 -3.446 2.473) 4.242 22.656 ( 0.000 -1.137 -0.582) 1.277 22.822 ( 0.000 -1.662 -2.870) 3.317 23.133 ( 0.000 -9.842 -5.012) 11.045 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 19.186 5.624 15.694) 25.418 1.678 ( 4.086 -2.337 21.799) 22.301 1.959 ( -3.602 -6.961 15.649) 17.503 2.469 ( 7.643 11.143 8.016) 15.711 2.657 ( -5.347 17.322 19.533) 26.649 2.777 ( -4.026 4.683 3.543) 7.120 2.998 ( 0.445 2.682 1.212) 2.977 3.067 ( -1.992 6.137 0.323) 6.460 3.293 ( -7.734 -6.742 0.653) 10.281 3.445 ( -2.778 -0.951 -8.875) 9.348 3.648 ( 0.598 -6.051 -4.345) 7.473 3.753 ( 0.450 -1.813 -2.269) 2.939 3.957 ( 6.144 8.763 -4.497) 11.609 4.297 ( -3.369 4.901 -6.253) 8.630 4.594 ( 2.184 18.962 2.576) 19.261 4.785 ( -2.168 17.176 4.964) 18.010 5.271 ( -0.345 7.288 0.720) 7.331 5.357 ( -4.440 7.840 -2.370) 9.316 5.517 ( 3.455 -3.635 6.772) 8.427 5.691 ( 2.510 3.704 4.263) 6.180 5.740 ( -2.374 -1.301 6.277) 6.836 5.927 ( 0.988 2.300 -5.542) 6.081 6.027 ( 1.655 -4.575 4.773) 6.816 6.068 ( 1.771 -0.460 -10.435) 10.594 6.240 ( 1.308 2.650 -6.828) 7.441 6.270 ( 0.474 -2.537 -8.872) 9.240 6.342 ( 0.889 7.758 -1.141) 7.892 6.591 ( -2.136 10.720 -7.937) 13.509 6.675 ( 5.075 3.198 4.408) 7.444 7.006 ( 1.359 -5.891 4.796) 7.717 7.107 ( -6.554 -0.398 0.552) 6.589 7.588 ( -13.238 -3.429 -1.137) 13.722 8.140 ( 11.985 -3.166 -1.179) 12.452 8.236 ( 7.398 -9.893 2.571) 12.618 8.532 ( 0.317 -0.539 4.599) 4.641 8.615 ( -1.461 10.595 6.677) 12.609 8.975 ( 2.557 -3.225 -1.976) 4.565 9.128 ( -2.029 -5.912 -19.653) 20.623 9.176 ( -1.575 0.011 -5.100) 5.338 9.215 ( 1.159 -13.897 6.146) 15.240 9.466 ( -3.070 1.346 -2.172) 3.994 9.692 ( -4.939 1.114 2.772) 5.772 9.981 ( 6.315 -9.118 -16.372) 19.776 10.208 ( -0.846 -12.806 -10.077) 16.317 10.385 ( 1.484 4.395 2.675) 5.355 10.415 ( -0.329 9.991 -0.052) 9.996 10.548 ( 0.906 5.915 3.085) 6.732 10.640 ( 0.130 6.286 -4.494) 7.728 10.865 ( 0.631 7.686 -5.522) 9.485 11.038 ( -1.968 8.173 -9.630) 12.783 11.422 ( -0.905 -4.886 8.297) 9.671 11.481 ( 2.134 -2.697 5.048) 6.108 11.732 ( -5.005 -3.278 4.345) 7.394 11.821 ( -2.337 -0.566 -1.775) 2.988 12.130 ( -1.975 -0.332 0.591) 2.088 12.230 ( 1.400 1.387 5.921) 6.240 12.308 ( -1.926 -4.925 -3.631) 6.415 12.363 ( 0.893 -1.841 -0.793) 2.194 12.419 ( -1.688 -1.697 2.842) 3.716 12.562 ( -2.154 -7.391 4.574) 8.955 12.685 ( 2.131 -2.612 5.010) 6.039 12.965 ( -3.382 2.975 3.824) 5.909 13.282 ( 3.633 13.435 -7.336) 15.733 13.487 ( -3.332 15.054 -8.636) 17.672 13.784 ( -2.068 2.541 -0.399) 3.300 13.906 ( 1.585 2.874 -0.956) 3.418 14.009 ( 3.973 1.449 -4.567) 6.225 14.123 ( 0.705 -1.850 -4.464) 4.883 15.390 ( 9.099 7.607 11.954) 16.839 15.678 ( 5.473 -0.214 0.274) 5.484 16.091 ( -3.535 2.446 -3.976) 5.856 16.433 ( -9.077 1.355 1.150) 9.249 16.663 ( 9.726 0.453 7.844) 12.503 16.833 ( 11.034 1.100 5.078) 12.196 17.701 ( -14.844 3.955 -5.516) 16.323 18.157 ( -23.753 1.021 0.627) 23.783 20.875 ( 16.485 1.836 14.627) 22.115 21.432 ( 3.177 -1.292 4.621) 5.755 21.521 ( 10.398 -0.767 3.113) 10.881 22.188 ( -5.562 -4.705 -12.126) 14.146 22.523 ( -2.399 -3.168 2.889) 4.913 22.655 ( -1.351 -1.728 -0.302) 2.214 22.862 ( 3.007 -3.672 -6.572) 8.106 23.079 ( -5.165 -9.885 -6.461) 12.889 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 6.301 -2.586 19.609) 20.758 1.864 ( -5.857 -5.354 17.730) 19.425 1.955 ( 23.846 3.503 13.524) 27.637 2.383 ( -19.547 8.810 14.739) 26.018 2.657 ( 8.945 11.162 12.368) 18.909 2.773 ( -1.114 4.689 5.421) 7.253 2.941 ( 0.780 0.280 -1.215) 1.471 3.080 ( -8.229 -5.946 -0.510) 10.165 3.182 ( 5.164 10.549 -1.087) 11.795 3.332 ( -8.084 9.347 -0.279) 12.362 3.696 ( 3.316 -8.641 -7.654) 12.011 3.745 ( -1.555 -8.367 -6.141) 10.494 4.084 ( 6.875 9.289 -4.320) 12.338 4.207 ( -5.843 7.367 -5.333) 10.810 4.652 ( 3.716 18.347 2.748) 18.921 4.726 ( -3.802 17.827 3.492) 18.559 5.270 ( 0.368 7.261 1.097) 7.353 5.292 ( -2.180 6.996 0.974) 7.392 5.584 ( 3.395 -3.897 9.582) 10.887 5.647 ( -3.429 -3.033 12.896) 13.684 5.802 ( 5.215 5.037 -8.329) 11.042 5.897 ( -4.071 4.043 -9.541) 11.134 6.064 ( 2.161 -6.962 0.769) 7.330 6.089 ( -0.046 -4.677 -5.238) 7.023 6.261 ( 1.659 -0.136 -6.553) 6.761 6.293 ( -0.501 4.637 -6.630) 8.106 6.384 ( 4.972 8.204 -1.871) 9.774 6.502 ( -6.279 8.718 -3.546) 11.314 6.810 ( 7.219 2.858 2.872) 8.278 6.937 ( -6.707 -0.664 1.894) 7.001 7.125 ( 8.049 -5.165 3.028) 10.031 7.335 ( -12.928 -4.165 0.797) 13.606 8.326 ( 6.673 -3.772 -5.672) 9.536 8.359 ( 3.539 -5.417 -4.328) 7.784 8.542 ( 0.951 2.079 7.882) 8.207 8.576 ( -2.323 6.243 9.151) 11.319 9.033 ( 3.048 -4.105 -9.868) 11.113 9.085 ( -2.365 -4.407 -17.072) 17.790 9.157 ( 0.843 -2.334 2.092) 3.245 9.209 ( -2.757 -9.357 8.149) 12.711 9.461 ( 3.640 -1.280 -0.751) 3.931 9.574 ( -6.965 -2.523 2.908) 7.958 10.100 ( 5.514 -10.554 -14.664) 18.890 10.178 ( -2.652 -11.636 -12.451) 17.247 10.405 ( 0.610 7.125 1.126) 7.239 10.413 ( -0.069 7.904 -0.441) 7.917 10.575 ( 2.033 6.730 3.072) 7.673 10.619 ( -2.180 6.831 -0.061) 7.171 10.906 ( 3.624 6.827 -8.386) 11.405 10.982 ( -3.810 7.299 -9.721) 12.739 11.426 ( 2.493 -6.595 7.639) 10.395 11.498 ( -2.802 -4.616 3.717) 6.556 11.676 ( 1.347 2.185 3.975) 4.731 11.748 ( -4.570 3.491 0.235) 5.756 12.113 ( 1.420 -4.391 -3.023) 5.516 12.188 ( -5.473 -5.771 -4.012) 8.908 12.341 ( 4.544 3.697 5.246) 7.863 12.388 ( 0.887 -4.205 0.072) 4.299 12.390 ( 0.110 0.348 4.852) 4.866 12.484 ( -5.735 -1.067 5.485) 8.007 12.766 ( 5.920 -4.476 4.008) 8.435 12.880 ( -5.484 -1.141 4.034) 6.903 13.356 ( 3.727 13.591 -6.912) 15.697 13.422 ( -3.398 13.611 -7.024) 15.689 13.802 ( 3.480 5.218 -0.360) 6.282 13.881 ( -3.789 5.896 -1.144) 7.101 14.079 ( 3.621 -0.920 -4.592) 5.920 14.128 ( -1.059 -1.644 -4.364) 4.782 15.573 ( 9.407 5.604 0.964) 10.992 15.719 ( -4.112 4.402 -2.680) 6.593 16.101 ( 6.297 1.107 1.639) 6.601 16.261 ( -9.063 0.679 1.040) 9.148 16.937 ( 17.503 1.367 9.078) 19.764 17.055 ( 10.348 0.729 10.396) 14.687 17.412 ( -11.010 0.436 0.298) 11.022 17.631 ( -27.653 -0.023 5.056) 28.111 21.207 ( 16.175 1.754 9.456) 18.818 21.426 ( -5.726 0.450 5.471) 7.932 21.762 ( 13.995 -0.308 0.753) 14.019 22.015 ( -11.883 -1.547 -4.216) 12.703 22.537 ( 3.163 -3.662 0.453) 4.860 22.607 ( -3.476 -2.479 -0.008) 4.269 22.911 ( 2.352 -6.879 -10.702) 12.938 22.974 ( -4.799 -9.329 -10.035) 14.518 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 13.132 14.064) 19.242 1.725 ( 0.000 9.413 13.383) 16.362 1.925 ( 0.000 1.485 7.345) 7.493 2.453 ( 0.000 -2.111 -6.031) 6.390 2.918 ( 0.000 -9.618 -8.838) 13.062 3.079 ( 0.000 -8.117 -8.773) 11.952 3.081 ( 0.000 18.499 22.415) 29.063 3.191 ( 0.000 -3.318 4.097) 5.272 3.241 ( 0.000 -13.182 -5.468) 14.271 3.257 ( 0.000 19.232 14.770) 24.249 3.608 ( 0.000 11.600 4.184) 12.332 4.026 ( 0.000 6.637 -1.810) 6.879 4.103 ( 0.000 18.717 4.556) 19.264 4.392 ( 0.000 1.945 0.829) 2.115 4.997 ( 0.000 16.759 -0.716) 16.774 5.169 ( 0.000 15.552 2.003) 15.681 5.420 ( 0.000 2.224 3.812) 4.414 5.425 ( 0.000 5.570 1.705) 5.825 5.523 ( 0.000 -10.175 -8.568) 13.302 5.698 ( 0.000 5.150 8.197) 9.681 5.790 ( 0.000 5.216 1.050) 5.321 5.892 ( 0.000 3.033 4.685) 5.581 5.975 ( 0.000 -5.962 -2.461) 6.450 6.143 ( 0.000 10.870 4.152) 11.636 6.242 ( 0.000 3.169 -11.235) 11.673 6.370 ( 0.000 10.261 -5.645) 11.712 6.454 ( 0.000 2.579 1.597) 3.033 6.712 ( 0.000 5.510 -6.163) 8.267 6.890 ( 0.000 13.098 -4.377) 13.809 6.969 ( 0.000 3.862 3.675) 5.331 7.214 ( 0.000 3.822 -0.966) 3.942 7.692 ( 0.000 -5.584 -0.922) 5.659 7.865 ( 0.000 -4.735 4.974) 6.867 7.936 ( 0.000 -6.398 6.925) 9.428 8.480 ( 0.000 -2.589 -2.407) 3.535 8.828 ( 0.000 -18.435 7.990) 20.092 8.841 ( 0.000 -4.990 -8.596) 9.940 8.909 ( 0.000 9.106 5.115) 10.444 9.009 ( 0.000 -6.253 -20.617) 21.544 9.149 ( 0.000 -5.261 1.037) 5.363 9.549 ( 0.000 0.818 -7.066) 7.114 9.706 ( 0.000 -9.847 -18.531) 20.985 9.786 ( 0.000 0.077 0.607) 0.612 9.909 ( 0.000 -14.776 -15.459) 21.385 10.475 ( 0.000 6.755 4.235) 7.973 10.637 ( 0.000 8.650 3.688) 9.404 10.676 ( 0.000 7.481 4.163) 8.561 10.788 ( 0.000 7.618 -3.424) 8.352 10.987 ( 0.000 3.346 -4.273) 5.427 11.220 ( 0.000 5.292 -11.923) 13.045 11.286 ( 0.000 -8.389 10.988) 13.824 11.433 ( 0.000 1.718 2.546) 3.071 11.666 ( 0.000 -6.055 1.782) 6.311 11.798 ( 0.000 -3.818 -2.085) 4.350 12.119 ( 0.000 -8.139 5.703) 9.938 12.185 ( 0.000 -9.007 6.432) 11.067 12.220 ( 0.000 2.603 0.080) 2.604 12.234 ( 0.000 -4.063 -2.130) 4.587 12.438 ( 0.000 2.697 7.776) 8.230 12.458 ( 0.000 0.502 3.222) 3.261 12.836 ( 0.000 12.436 9.871) 15.877 13.123 ( 0.000 7.203 4.818) 8.665 13.498 ( 0.000 10.697 -5.257) 11.919 13.807 ( 0.000 8.533 -9.381) 12.682 13.839 ( 0.000 -0.441 0.255) 0.509 13.895 ( 0.000 -1.964 0.085) 1.966 13.976 ( 0.000 2.522 -1.785) 3.090 14.087 ( 0.000 -1.646 -2.564) 3.047 15.507 ( 0.000 10.819 13.703) 17.459 15.582 ( 0.000 -0.844 -2.823) 2.946 16.187 ( 0.000 3.412 -3.389) 4.809 16.584 ( 0.000 0.752 7.024) 7.064 16.587 ( 0.000 0.672 3.178) 3.248 16.714 ( 0.000 -0.463 4.904) 4.926 18.044 ( 0.000 10.791 -20.021) 22.744 18.438 ( 0.000 1.568 -6.040) 6.240 20.745 ( 0.000 3.356 15.078) 15.447 21.280 ( 0.000 -6.684 5.702) 8.786 21.428 ( 0.000 1.646 2.865) 3.304 22.048 ( 0.000 -10.477 -13.553) 17.130 22.501 ( 0.000 -3.464 3.272) 4.765 22.619 ( 0.000 -2.479 -0.796) 2.604 22.778 ( 0.000 -2.340 -2.498) 3.423 22.915 ( 0.000 -9.609 -0.506) 9.622 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 15.192 9.653 12.506) 21.917 1.742 ( 1.881 9.041 12.876) 15.846 1.905 ( -1.929 2.228 7.916) 8.447 2.508 ( 5.670 -3.604 -5.321) 8.570 2.851 ( -11.818 -2.316 1.596) 12.148 2.947 ( -6.499 -4.205 -2.872) 8.256 3.056 ( -3.225 5.591 4.173) 7.686 3.112 ( -6.365 -7.947 0.381) 10.188 3.238 ( 5.041 7.132 6.121) 10.665 3.379 ( 4.432 6.511 7.590) 10.938 3.652 ( 4.129 12.141 4.044) 13.446 3.957 ( -4.805 12.367 0.793) 13.291 4.180 ( 5.326 12.627 2.209) 13.881 4.382 ( -1.117 2.991 0.946) 3.330 5.020 ( 2.271 17.551 -0.671) 17.710 5.162 ( -0.842 15.713 1.481) 15.805 5.400 ( -0.757 4.039 3.729) 5.549 5.453 ( 1.816 2.015 1.810) 3.261 5.497 ( -2.809 -5.244 -4.149) 7.253 5.651 ( -4.934 4.740 3.914) 7.882 5.787 ( 2.009 1.174 0.465) 2.373 5.909 ( 1.821 -0.609 4.878) 5.242 5.983 ( 0.181 -5.840 -2.323) 6.288 6.101 ( -4.239 7.642 0.014) 8.739 6.263 ( 1.885 6.056 -6.774) 9.280 6.432 ( 4.066 10.029 -4.627) 11.769 6.489 ( 4.535 6.844 -0.180) 8.212 6.776 ( 0.690 5.868 -0.788) 5.961 6.812 ( -0.392 7.140 -3.573) 7.994 6.972 ( -0.924 5.413 0.182) 5.495 7.128 ( -6.789 3.906 0.939) 7.888 7.521 ( -12.401 -1.860 -1.475) 12.626 7.991 ( 10.595 -9.709 8.144) 16.518 8.099 ( 11.333 -3.233 0.090) 11.786 8.496 ( 1.447 -2.303 -2.681) 3.819 8.721 ( -6.977 -8.343 7.188) 13.037 8.869 ( 1.644 -7.307 -10.411) 12.825 8.959 ( 1.148 -4.790 -4.563) 6.714 9.034 ( 3.719 -1.356 -8.099) 9.015 9.132 ( -1.339 -3.771 2.516) 4.727 9.489 ( -4.479 0.023 -7.481) 8.720 9.686 ( -7.782 -3.227 -3.559) 9.146 9.775 ( 4.712 -9.167 -14.322) 17.646 9.931 ( 0.983 -12.196 -13.814) 18.453 10.504 ( 2.601 6.657 3.549) 7.980 10.623 ( -1.043 9.184 2.536) 9.584 10.686 ( 0.765 6.489 4.699) 8.048 10.784 ( -0.637 6.726 -2.273) 7.128 10.995 ( 1.159 4.320 -5.081) 6.769 11.185 ( -3.141 3.784 -10.559) 11.648 11.271 ( -0.816 -6.470 9.439) 11.472 11.471 ( 1.123 0.364 1.468) 1.884 11.624 ( -1.386 -5.018 2.344) 5.709 11.793 ( -0.121 -2.955 -2.174) 3.670 12.132 ( -0.346 -7.528 2.240) 7.862 12.144 ( -5.459 0.716 -1.471) 5.699 12.218 ( 2.344 -5.624 5.475) 8.191 12.289 ( 4.650 -3.736 1.425) 6.133 12.413 ( -3.414 0.106 5.964) 6.873 12.452 ( 0.973 1.050 6.583) 6.737 12.826 ( -0.802 12.424 9.867) 15.886 13.059 ( -5.938 6.519 5.950) 10.638 13.539 ( 3.150 9.984 -4.446) 11.375 13.721 ( -5.169 5.304 -4.203) 8.516 13.860 ( 2.482 3.830 -3.028) 5.477 13.948 ( 4.578 0.898 -2.729) 5.405 14.043 ( 3.414 0.540 -1.846) 3.919 14.079 ( -0.677 -0.963 -1.383) 1.816 15.561 ( 5.829 7.004 4.140) 10.009 15.705 ( 10.772 3.765 0.446) 11.420 16.160 ( -2.562 4.118 -2.398) 5.410 16.460 ( -9.327 0.852 1.598) 9.501 16.676 ( 9.843 0.769 7.414) 12.347 16.840 ( 9.785 -0.891 6.820) 11.960 17.829 ( -19.721 7.962 -11.791) 24.318 18.181 ( -24.570 1.104 -2.757) 24.749 20.933 ( 16.918 3.738 11.772) 20.947 21.391 ( 7.901 -2.925 2.862) 8.898 21.506 ( 8.948 -0.232 2.024) 9.177 22.045 ( -1.143 -8.748 -12.334) 15.164 22.448 ( -3.633 -3.239 3.600) 6.054 22.605 ( -1.956 -2.992 -0.819) 3.667 22.769 ( -1.266 -4.857 -3.394) 6.059 22.859 ( -5.176 -9.576 -1.757) 11.026 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 2.876 6.206 11.645) 13.505 1.843 ( -2.769 3.723 9.886) 10.921 2.048 ( 22.329 5.962 8.763) 24.717 2.485 ( -22.027 2.297 5.818) 22.898 2.662 ( 8.838 -6.035 -0.993) 10.748 2.838 ( -8.080 -8.575 1.639) 11.895 3.009 ( -1.416 -1.520 -5.080) 5.488 3.019 ( -2.174 -1.512 -7.541) 7.992 3.345 ( 5.226 8.894 9.465) 14.001 3.410 ( -1.159 7.486 8.613) 11.471 3.748 ( 5.648 13.636 3.385) 15.143 3.858 ( -5.666 14.297 2.268) 15.545 4.276 ( 4.480 8.992 1.512) 10.160 4.345 ( -2.798 5.699 1.185) 6.459 5.075 ( 3.243 18.612 -0.471) 18.899 5.132 ( -2.418 17.345 0.273) 17.515 5.399 ( 0.805 3.211 3.559) 4.861 5.435 ( -2.977 1.394 1.509) 3.618 5.495 ( 2.659 -0.918 1.431) 3.156 5.559 ( -4.164 -1.274 1.625) 4.648 5.866 ( 5.497 -0.474 -0.717) 5.564 5.940 ( 0.412 -3.817 4.172) 5.670 5.975 ( -0.910 -3.788 -3.200) 5.041 6.004 ( -4.754 4.591 -4.507) 7.999 6.332 ( 5.541 8.017 -0.409) 9.754 6.438 ( -3.649 8.430 -0.665) 9.210 6.598 ( 4.588 11.110 -2.833) 12.350 6.664 ( -4.403 4.967 0.283) 6.643 6.940 ( 0.947 8.259 -2.175) 8.593 6.961 ( 1.329 5.594 -2.349) 6.211 7.057 ( 5.309 -0.247 2.218) 5.759 7.276 ( -13.143 -0.474 -1.273) 13.213 8.191 ( 8.896 -8.104 4.460) 12.834 8.258 ( 3.309 -4.353 -2.000) 5.822 8.525 ( 1.847 -3.108 -0.674) 3.677 8.594 ( -5.700 -5.950 4.925) 9.599 8.902 ( 2.047 -8.575 -11.385) 14.399 8.948 ( -2.093 -8.663 -11.295) 14.388 9.107 ( 2.769 -1.018 0.430) 2.981 9.127 ( 0.705 0.869 4.720) 4.851 9.434 ( 0.169 -1.376 -5.695) 5.861 9.522 ( -8.107 -2.914 -1.818) 8.805 9.867 ( 4.274 -10.852 -15.149) 19.119 9.925 ( -1.735 -11.445 -14.246) 18.356 10.556 ( 2.661 7.181 2.928) 8.199 10.599 ( -1.702 8.597 2.205) 9.037 10.708 ( 1.882 5.683 3.549) 6.960 10.754 ( -2.423 5.815 0.697) 6.337 11.041 ( 3.546 5.156 -7.442) 9.724 11.116 ( -4.003 4.380 -9.597) 11.284 11.287 ( 3.130 -6.132 6.627) 9.556 11.390 ( -6.879 -5.324 3.608) 9.417 11.704 ( 6.854 0.924 0.295) 6.923 11.790 ( -1.298 0.526 -1.042) 1.746 12.048 ( -3.042 -1.912 -2.698) 4.493 12.072 ( -4.453 -4.965 -1.915) 6.939 12.274 ( 3.311 -5.172 5.133) 8.004 12.336 ( -2.863 -2.514 4.476) 5.878 12.405 ( 4.829 -1.578 6.424) 8.191 12.466 ( -0.701 -0.660 6.257) 6.331 12.832 ( 2.533 10.795 9.852) 14.833 12.930 ( -6.899 7.043 8.328) 12.906 13.590 ( 2.399 7.902 -2.920) 8.760 13.641 ( -3.243 6.350 -2.891) 7.694 13.948 ( 5.576 6.487 -3.490) 9.239 14.018 ( 0.756 4.239 -3.894) 5.805 14.048 ( -0.219 -0.245 -0.901) 0.960 14.077 ( -0.825 -2.828 -2.339) 3.762 15.719 ( 9.897 8.062 -2.272) 12.966 15.851 ( -0.059 7.606 -5.194) 9.210 16.137 ( 2.998 2.364 0.397) 3.839 16.274 ( -9.458 0.368 -0.445) 9.475 16.973 ( 19.692 1.875 8.109) 21.378 17.068 ( 13.944 0.387 9.026) 16.615 17.434 ( -17.586 1.796 -0.749) 17.693 17.629 ( -29.933 -0.257 3.269) 30.112 21.265 ( 15.393 3.827 6.649) 17.199 21.448 ( -2.990 1.944 3.046) 4.690 21.745 ( 13.632 -1.655 -1.521) 13.816 21.961 ( -8.240 -3.896 -6.682) 11.302 22.436 ( 3.054 -5.199 1.116) 6.132 22.533 ( -5.571 -4.270 -0.305) 7.026 22.736 ( -0.856 -9.302 -4.415) 10.332 22.767 ( -3.645 -8.804 -5.059) 10.789 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.000 14.636 9.040) 17.202 1.979 ( 0.000 12.402 3.253) 12.822 2.061 ( 0.000 11.941 -2.355) 12.171 2.373 ( 0.000 -5.004 -1.732) 5.295 2.656 ( 0.000 -14.325 -10.061) 17.505 2.777 ( 0.000 -17.947 -10.970) 21.034 3.020 ( 0.000 -5.402 4.011) 6.728 3.057 ( 0.000 -5.587 1.827) 5.878 3.498 ( 0.000 16.740 18.392) 24.870 3.698 ( 0.000 19.274 13.684) 23.638 3.836 ( 0.000 4.764 7.867) 9.197 4.129 ( 0.000 1.902 2.260) 2.954 4.450 ( 0.000 6.778 6.092) 9.113 4.484 ( 0.000 17.039 2.475) 17.217 5.043 ( 0.000 -7.025 -1.488) 7.181 5.168 ( 0.000 -18.402 -2.915) 18.631 5.493 ( 0.000 11.594 0.014) 11.594 5.571 ( 0.000 5.561 0.293) 5.568 5.600 ( 0.000 12.225 1.215) 12.285 5.742 ( 0.000 -2.508 4.459) 5.116 5.763 ( 0.000 -3.862 5.878) 7.033 5.868 ( 0.000 -3.222 2.703) 4.206 6.155 ( 0.000 15.896 -1.733) 15.990 6.364 ( 0.000 5.853 -7.477) 9.495 6.366 ( 0.000 8.337 6.861) 10.797 6.517 ( 0.000 7.127 -0.749) 7.166 6.562 ( 0.000 5.707 0.688) 5.748 6.767 ( 0.000 -1.173 -6.381) 6.488 7.065 ( 0.000 3.032 -0.291) 3.046 7.101 ( 0.000 5.057 -5.508) 7.477 7.402 ( 0.000 14.288 3.574) 14.728 7.622 ( 0.000 0.347 3.551) 3.568 7.765 ( 0.000 -4.529 3.261) 5.581 7.884 ( 0.000 -0.078 0.235) 0.248 8.373 ( 0.000 -9.511 12.253) 15.512 8.584 ( 0.000 -0.063 -9.299) 9.299 8.736 ( 0.000 -4.208 -14.282) 14.889 8.778 ( 0.000 -17.336 5.101) 18.071 8.923 ( 0.000 -1.179 -20.800) 20.833 9.145 ( 0.000 -1.151 -0.173) 1.164 9.530 ( 0.000 -2.322 -9.547) 9.826 9.561 ( 0.000 -2.939 -16.688) 16.945 9.636 ( 0.000 -9.364 -17.683) 20.009 9.734 ( 0.000 -4.505 -4.869) 6.633 10.635 ( 0.000 8.351 5.020) 9.744 10.779 ( 0.000 5.057 2.796) 5.779 10.810 ( 0.000 4.499 2.990) 5.402 10.895 ( 0.000 1.688 -0.122) 1.693 11.012 ( 0.000 -0.368 -2.521) 2.547 11.087 ( 0.000 -7.840 9.206) 12.092 11.346 ( 0.000 5.036 -8.317) 9.723 11.478 ( 0.000 2.187 1.487) 2.645 11.556 ( 0.000 -4.223 -0.379) 4.240 11.683 ( 0.000 -6.245 -1.644) 6.457 11.995 ( 0.000 -3.129 8.783) 9.323 12.027 ( 0.000 -4.952 6.603) 8.254 12.217 ( 0.000 0.972 2.082) 2.298 12.251 ( 0.000 0.427 0.748) 0.861 12.494 ( 0.000 2.061 5.023) 5.430 12.501 ( 0.000 2.510 7.474) 7.884 13.140 ( 0.000 15.865 9.949) 18.726 13.319 ( 0.000 11.999 7.220) 14.004 13.644 ( 0.000 1.010 0.207) 1.031 13.782 ( 0.000 -5.018 -1.164) 5.151 13.824 ( 0.000 -1.020 -0.350) 1.078 13.846 ( 0.000 -6.409 -0.063) 6.409 14.026 ( 0.000 2.179 0.453) 2.226 14.070 ( 0.000 0.145 1.678) 1.684 15.607 ( 0.000 3.154 -6.259) 7.009 15.676 ( 0.000 4.219 2.980) 5.165 16.296 ( 0.000 7.311 4.268) 8.466 16.593 ( 0.000 -0.475 7.526) 7.541 16.601 ( 0.000 0.587 3.272) 3.324 16.649 ( 0.000 -5.069 7.170) 8.781 18.266 ( 0.000 9.503 -22.957) 24.846 18.457 ( 0.000 -0.179 -11.810) 11.811 20.835 ( 0.000 5.233 11.905) 13.004 21.124 ( 0.000 -7.927 7.088) 10.634 21.489 ( 0.000 4.476 -1.041) 4.595 21.821 ( 0.000 -10.738 -10.457) 14.988 22.460 ( 0.000 -0.193 2.539) 2.546 22.556 ( 0.000 -3.363 -0.610) 3.418 22.733 ( 0.000 -1.793 -1.647) 2.435 22.765 ( 0.000 -4.672 0.443) 4.693 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 6.905 11.444 7.613) 15.382 2.009 ( 4.047 13.044 2.706) 13.923 2.046 ( -1.429 11.985 -1.733) 12.194 2.402 ( 2.946 -6.180 -1.287) 6.966 2.649 ( -1.079 -13.560 -8.344) 15.959 2.752 ( -2.681 -15.334 -10.442) 18.744 2.914 ( -10.971 -4.102 3.818) 12.320 2.974 ( -6.232 -6.330 -0.242) 8.886 3.548 ( 4.767 16.267 17.810) 24.588 3.719 ( 1.413 17.760 13.483) 22.343 3.884 ( 4.573 4.885 7.555) 10.092 4.122 ( -1.009 2.533 2.783) 3.896 4.463 ( 1.354 7.877 5.990) 9.988 4.496 ( 0.923 16.349 3.056) 16.658 5.058 ( 1.601 -8.432 -0.821) 8.622 5.174 ( 0.216 -17.137 -1.605) 17.214 5.481 ( -0.740 10.683 -0.752) 10.735 5.560 ( -1.295 6.140 -0.749) 6.320 5.587 ( -0.632 7.977 2.773) 8.469 5.733 ( -3.264 -2.504 3.536) 5.425 5.781 ( 3.479 0.064 3.344) 4.826 5.890 ( 2.153 -2.215 3.049) 4.340 6.040 ( -7.986 12.427 1.382) 14.837 6.221 ( -7.793 4.017 0.392) 8.776 6.482 ( 4.710 10.032 -2.881) 11.450 6.515 ( 1.600 4.395 -0.974) 4.777 6.711 ( 9.792 8.923 -0.597) 13.261 6.837 ( 6.837 -0.902 -3.375) 7.678 6.945 ( -8.677 6.516 -0.717) 10.875 7.059 ( -4.070 0.826 -1.950) 4.588 7.336 ( -5.255 13.296 2.723) 14.553 7.548 ( -10.062 4.120 -0.915) 10.911 7.831 ( 11.140 -4.423 7.032) 13.896 8.050 ( 10.968 -2.154 -2.091) 11.371 8.371 ( -0.698 -10.536 12.147) 16.095 8.561 ( -2.377 0.401 -10.286) 10.565 8.742 ( 0.477 -5.976 -12.182) 13.577 8.786 ( 0.523 -11.229 -0.387) 11.247 8.939 ( 2.101 -3.951 -15.677) 16.303 9.137 ( -0.961 -2.687 -0.475) 2.893 9.477 ( -3.429 -0.300 -10.845) 11.378 9.573 ( -5.000 -3.733 -14.308) 15.609 9.613 ( 2.788 -6.794 -13.783) 15.617 9.739 ( -0.056 -7.145 -8.975) 11.472 10.656 ( 2.045 7.789 4.434) 9.193 10.776 ( -0.462 5.080 2.155) 5.538 10.796 ( -1.025 3.752 3.804) 5.441 10.880 ( -1.481 1.633 0.349) 2.232 11.034 ( 2.327 -0.459 -3.045) 3.860 11.098 ( 1.455 -5.052 6.812) 8.605 11.300 ( -4.067 3.748 -6.451) 8.497 11.449 ( -6.369 -2.739 0.140) 6.934 11.580 ( 5.844 0.848 1.427) 6.076 11.716 ( 3.563 -4.080 -1.213) 5.551 11.996 ( 0.044 -3.597 5.684) 6.726 12.084 ( 2.854 -4.781 5.139) 7.577 12.190 ( -2.641 1.147 2.425) 3.765 12.240 ( 0.772 -1.316 1.933) 2.463 12.435 ( -5.479 2.015 5.774) 8.211 12.493 ( -1.232 1.064 6.646) 6.842 13.134 ( -0.498 16.128 10.185) 19.082 13.256 ( -5.104 12.363 8.696) 15.953 13.653 ( 0.194 -1.381 1.578) 2.106 13.727 ( -4.016 -4.226 1.834) 6.111 13.842 ( 5.468 -1.880 -3.669) 6.848 13.956 ( 5.839 -2.118 -0.381) 6.223 14.046 ( 1.130 1.070 0.833) 1.765 14.088 ( 1.477 0.613 1.971) 2.538 15.680 ( 8.193 5.542 -5.151) 11.152 15.797 ( 10.807 2.795 -2.364) 11.410 16.265 ( -3.070 5.948 2.148) 7.030 16.457 ( -9.061 -1.427 2.818) 9.596 16.695 ( 10.237 1.200 7.216) 12.582 16.795 ( 10.568 -3.136 8.474) 13.904 18.003 ( -24.383 7.951 -14.498) 29.460 18.189 ( -25.584 -0.785 -7.639) 26.712 21.030 ( 17.595 5.617 8.175) 20.198 21.299 ( 15.434 -5.831 2.563) 16.697 21.535 ( 4.399 3.429 -1.002) 5.667 21.843 ( 1.701 -10.031 -10.063) 14.310 22.415 ( -3.846 0.387 2.894) 4.829 22.535 ( -2.118 -3.625 -0.757) 4.266 22.675 ( -6.191 -3.410 -0.110) 7.068 22.714 ( -4.611 -4.631 -1.370) 6.677 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 2.686 10.722 2.469) 11.325 2.012 ( -1.999 11.574 -0.323) 11.749 2.201 ( 15.316 8.157 3.001) 17.610 2.456 ( -2.059 -7.188 -2.236) 7.804 2.572 ( -6.935 -2.454 3.328) 8.074 2.623 ( -6.754 -7.808 -1.471) 10.428 2.794 ( 0.527 -13.480 -7.007) 15.201 2.856 ( -5.339 -9.742 -7.346) 13.318 3.650 ( 5.137 16.059 16.179) 23.367 3.720 ( -1.797 16.538 14.322) 21.951 3.987 ( 5.674 4.730 6.206) 9.648 4.079 ( -3.659 3.804 4.268) 6.788 4.493 ( 1.445 10.913 5.456) 12.286 4.507 ( 0.042 14.256 4.323) 14.897 5.103 ( 2.948 -11.025 0.563) 11.426 5.157 ( -2.197 -13.921 0.642) 14.108 5.490 ( 1.908 7.698 -2.578) 8.340 5.531 ( -1.801 5.920 -2.030) 6.512 5.586 ( 0.957 4.742 3.225) 5.814 5.645 ( -5.017 2.252 2.394) 5.998 5.853 ( 3.652 1.838 2.773) 4.940 5.915 ( -2.700 4.750 -0.236) 5.469 5.965 ( 3.348 0.831 5.443) 6.444 6.075 ( -7.219 2.118 1.045) 7.595 6.552 ( 3.867 9.877 -0.988) 10.653 6.583 ( 3.056 5.823 -0.444) 6.591 6.742 ( -3.262 3.587 -1.670) 5.129 6.790 ( -6.302 6.025 -4.201) 9.678 7.056 ( 11.454 1.747 1.059) 11.634 7.077 ( 8.382 6.650 0.409) 10.708 7.211 ( -7.506 9.538 1.438) 12.222 7.328 ( -12.867 4.821 -0.558) 13.752 8.054 ( 10.893 -3.189 5.984) 12.831 8.189 ( -0.393 -0.894 1.231) 1.571 8.370 ( 3.804 -11.257 2.455) 12.133 8.487 ( -5.706 -4.305 -8.352) 10.993 8.759 ( 1.327 -4.427 -8.843) 9.978 8.783 ( -0.868 -3.436 -7.771) 8.541 9.012 ( 5.163 -7.891 -7.508) 12.053 9.100 ( -3.296 -6.796 -2.657) 8.006 9.430 ( -0.769 1.703 -10.300) 10.468 9.468 ( -4.620 0.013 -9.704) 10.748 9.673 ( 3.099 -8.003 -13.781) 16.235 9.722 ( -1.802 -8.621 -12.169) 15.022 10.701 ( 2.424 6.718 3.726) 8.055 10.746 ( -2.254 5.262 3.351) 6.633 10.803 ( 1.582 3.068 2.312) 4.154 10.843 ( -2.301 2.059 1.291) 3.347 11.099 ( 4.308 0.500 -4.557) 6.291 11.147 ( 2.522 -0.399 -0.212) 2.562 11.219 ( -2.834 -0.304 -1.235) 3.106 11.299 ( -7.974 -3.153 2.185) 8.848 11.727 ( 8.349 1.556 1.368) 8.602 11.801 ( 3.372 0.930 -0.255) 3.507 11.959 ( -2.867 -4.576 1.097) 5.511 12.019 ( -6.791 -2.596 -0.461) 7.285 12.213 ( 4.099 -0.399 6.502) 7.697 12.308 ( -1.534 -0.597 4.905) 5.174 12.330 ( 2.081 -2.747 5.461) 6.458 12.440 ( -4.641 -2.602 5.152) 7.406 13.133 ( 0.717 16.383 10.967) 19.728 13.171 ( -3.346 14.854 10.942) 18.750 13.657 ( 0.478 -2.984 2.276) 3.783 13.676 ( -1.621 -3.753 2.075) 4.584 13.955 ( 5.540 -0.664 -1.454) 5.766 14.032 ( -1.705 -0.269 2.657) 3.169 14.056 ( 3.265 -0.112 -2.293) 3.991 14.101 ( -0.719 0.663 1.038) 1.426 15.895 ( 12.588 8.211 -5.941) 16.161 15.993 ( 6.464 4.939 -6.882) 10.655 16.191 ( -3.518 2.477 -1.189) 4.464 16.268 ( -9.885 -1.035 -2.052) 10.148 17.009 ( 21.728 1.605 7.432) 23.020 17.065 ( 19.279 -0.717 7.777) 20.801 17.489 ( -26.175 3.368 -1.459) 26.431 17.612 ( -31.772 -1.524 0.674) 31.815 21.368 ( 14.913 6.042 2.831) 16.337 21.514 ( 1.241 4.188 -0.746) 4.431 21.676 ( 11.682 -4.821 -2.855) 12.956 21.840 ( -3.710 -7.631 -7.810) 11.532 22.371 ( 0.976 -0.178 2.324) 2.527 22.464 ( -6.479 -1.491 0.137) 6.650 22.563 ( -1.824 -6.925 -0.349) 7.170 22.612 ( -5.283 -6.359 -2.122) 8.535 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 0.000 -8.001 0.840) 8.045 2.063 ( 0.000 8.001 0.840) 8.045 2.368 ( 0.000 -12.315 -2.387) 12.544 2.368 ( 0.000 12.315 -2.387) 12.544 2.404 ( 0.000 -15.833 -7.175) 17.383 2.404 ( 0.000 15.833 -7.175) 17.383 2.980 ( 0.000 -1.404 2.204) 2.613 2.980 ( 0.000 1.404 2.204) 2.613 3.773 ( 0.000 -9.124 14.558) 17.181 3.773 ( 0.000 9.124 14.558) 17.181 4.023 ( 0.000 -11.330 8.652) 14.255 4.023 ( 0.000 11.330 8.652) 14.255 4.703 ( 0.000 -8.405 1.551) 8.547 4.703 ( 0.000 8.405 1.551) 8.547 4.870 ( 0.000 -2.788 -0.235) 2.798 4.870 ( 0.000 2.788 -0.235) 2.798 5.645 ( 0.000 -5.093 1.000) 5.190 5.645 ( 0.000 5.093 1.000) 5.190 5.674 ( 0.000 -3.974 2.383) 4.634 5.674 ( 0.000 3.974 2.383) 4.634 5.802 ( 0.000 -5.142 2.723) 5.819 5.802 ( 0.000 5.142 2.723) 5.819 6.375 ( 0.000 -5.264 -1.143) 5.387 6.375 ( 0.000 5.264 -1.143) 5.387 6.552 ( 0.000 -7.496 4.534) 8.761 6.552 ( 0.000 7.496 4.534) 8.761 6.679 ( 0.000 -5.855 -3.099) 6.625 6.679 ( 0.000 5.855 -3.099) 6.625 7.109 ( 0.000 -2.035 -3.799) 4.310 7.109 ( 0.000 2.035 -3.799) 4.310 7.668 ( 0.000 -1.323 4.265) 4.466 7.668 ( 0.000 1.323 4.265) 4.466 7.750 ( 0.000 -12.852 0.963) 12.888 7.750 ( 0.000 12.852 0.963) 12.888 8.399 ( 0.000 -14.476 7.845) 16.465 8.399 ( 0.000 14.476 7.845) 16.465 8.670 ( 0.000 -3.986 -14.768) 15.296 8.670 ( 0.000 3.986 -14.768) 15.296 8.999 ( 0.000 -8.571 -12.923) 15.508 8.999 ( 0.000 8.571 -12.923) 15.507 9.495 ( 0.000 -0.637 -12.614) 12.630 9.495 ( 0.000 0.637 -12.614) 12.630 9.635 ( 0.000 -4.381 -11.734) 12.526 9.635 ( 0.000 4.381 -11.734) 12.526 10.810 ( 0.000 -6.921 3.733) 7.864 10.810 ( 0.000 6.921 3.733) 7.864 10.850 ( 0.000 -0.343 3.512) 3.529 10.850 ( 0.000 0.343 3.512) 3.529 11.004 ( 0.000 -0.393 2.561) 2.591 11.004 ( 0.000 0.393 2.561) 2.591 11.446 ( 0.000 -4.394 -3.921) 5.890 11.446 ( 0.000 4.394 -3.921) 5.890 11.567 ( 0.000 -4.382 0.401) 4.400 11.567 ( 0.000 4.382 0.401) 4.400 11.974 ( 0.000 -0.644 7.642) 7.669 11.974 ( 0.000 0.644 7.642) 7.669 12.243 ( 0.000 -1.079 2.133) 2.391 12.243 ( 0.000 1.079 2.133) 2.391 12.524 ( 0.000 -0.425 6.309) 6.323 12.524 ( 0.000 0.425 6.309) 6.323 13.460 ( 0.000 -14.066 7.041) 15.730 13.460 ( 0.000 14.066 7.041) 15.730 13.608 ( 0.000 -14.392 7.249) 16.114 13.608 ( 0.000 14.392 7.249) 16.114 13.792 ( 0.000 -2.146 -2.234) 3.098 13.792 ( 0.000 2.146 -2.234) 3.098 14.063 ( 0.000 -1.176 2.124) 2.428 14.063 ( 0.000 1.176 2.124) 2.428 15.681 ( 0.000 -2.804 -5.365) 6.054 15.681 ( 0.000 2.804 -5.365) 6.054 16.474 ( 0.000 -8.862 10.255) 13.554 16.474 ( 0.000 8.862 10.255) 13.554 16.610 ( 0.000 -0.254 3.598) 3.607 16.610 ( 0.000 0.254 3.598) 3.607 18.413 ( 0.000 -4.416 -18.600) 19.117 18.413 ( 0.000 4.416 -18.600) 19.117 20.964 ( 0.000 -7.129 9.141) 11.593 20.964 ( 0.000 7.129 9.141) 11.593 21.621 ( 0.000 -8.167 -5.950) 10.105 21.621 ( 0.000 8.167 -5.950) 10.105 22.490 ( 0.000 -2.691 0.678) 2.775 22.490 ( 0.000 2.691 0.678) 2.775 22.715 ( 0.000 -0.435 -0.463) 0.635 22.715 ( 0.000 0.435 -0.463) 0.635 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 3.766 -7.098 0.053) 8.036 2.100 ( 3.766 7.098 0.053) 8.036 2.352 ( -2.107 -3.114 -6.702) 7.685 2.352 ( -2.107 3.114 -6.702) 7.684 2.422 ( 2.492 -5.600 -2.338) 6.561 2.422 ( 2.492 5.601 -2.338) 6.561 2.892 ( -8.613 -1.407 1.810) 8.913 2.892 ( -8.613 1.407 1.810) 8.913 3.821 ( 4.629 -9.046 14.025) 17.320 3.821 ( 4.629 9.046 14.025) 17.320 4.026 ( -0.029 -10.629 9.157) 14.029 4.026 ( -0.029 10.629 9.157) 14.029 4.727 ( 2.479 -8.619 1.930) 9.173 4.727 ( 2.479 8.619 1.930) 9.173 4.870 ( -0.272 -5.468 0.424) 5.491 4.870 ( -0.272 5.468 0.423) 5.491 5.613 ( -2.286 -3.685 0.787) 4.408 5.613 ( -2.286 3.685 0.787) 4.408 5.659 ( -1.773 -3.720 2.189) 4.666 5.659 ( -1.773 3.720 2.189) 4.666 5.844 ( 3.845 -3.605 2.431) 5.804 5.844 ( 3.845 3.605 2.431) 5.804 6.234 ( -10.071 -4.101 2.214) 11.098 6.234 ( -10.071 4.101 2.214) 11.098 6.593 ( 3.122 -3.381 -2.912) 5.446 6.593 ( 3.122 3.381 -2.912) 5.446 6.809 ( 8.780 -1.035 0.579) 8.859 6.809 ( 8.780 1.035 0.579) 8.859 7.031 ( -5.044 -2.353 -1.543) 5.775 7.031 ( -5.044 2.353 -1.543) 5.775 7.560 ( -8.985 -5.807 3.330) 11.205 7.560 ( -8.985 5.807 3.330) 11.205 7.891 ( 11.328 -10.473 0.843) 15.451 7.891 ( 11.328 10.473 0.843) 15.451 8.397 ( -1.490 -12.926 4.731) 13.845 8.397 ( -1.490 12.926 4.731) 13.845 8.696 ( 3.274 -3.525 -12.584) 13.473 8.696 ( 3.274 3.525 -12.584) 13.473 8.975 ( -2.482 -8.002 -11.715) 14.402 8.975 ( -2.482 8.002 -11.715) 14.402 9.498 ( 0.369 -2.611 -12.724) 12.994 9.498 ( 0.369 2.611 -12.724) 12.994 9.610 ( -2.427 -4.638 -11.851) 12.956 9.610 ( -2.427 4.638 -11.851) 12.956 10.804 ( -0.238 -4.511 3.818) 5.915 10.804 ( -0.238 4.511 3.818) 5.915 10.845 ( -0.563 -2.143 2.612) 3.426 10.845 ( -0.563 2.143 2.612) 3.426 11.035 ( 3.113 -1.490 2.072) 4.025 11.035 ( 3.113 1.490 2.072) 4.025 11.380 ( -6.058 -3.741 -2.996) 7.725 11.380 ( -6.058 3.741 -2.996) 7.725 11.630 ( 6.059 -3.680 0.818) 7.136 11.630 ( 6.059 3.680 0.818) 7.136 11.999 ( 1.346 -2.951 6.009) 6.829 11.999 ( 1.346 2.951 6.009) 6.829 12.215 ( -1.842 -1.202 2.606) 3.410 12.215 ( -1.842 1.202 2.606) 3.410 12.481 ( -4.354 -1.861 5.803) 7.489 12.481 ( -4.354 1.861 5.803) 7.489 13.455 ( -0.345 -13.108 7.512) 15.112 13.455 ( -0.345 13.108 7.512) 15.112 13.542 ( -4.002 -12.088 6.999) 14.530 13.542 ( -4.002 12.088 6.999) 14.530 13.882 ( 6.647 -3.779 -1.102) 7.725 13.882 ( 6.647 3.779 -1.102) 7.725 14.079 ( 1.006 -1.472 2.414) 3.001 14.079 ( 1.006 1.472 2.414) 3.001 15.785 ( 10.232 -3.636 -6.796) 12.810 15.785 ( 10.232 3.636 -6.796) 12.810 16.389 ( -6.751 -5.131 4.294) 9.505 16.389 ( -6.751 5.131 4.294) 9.505 16.732 ( 11.113 -2.466 7.962) 13.892 16.732 ( 11.113 2.466 7.962) 13.892 18.135 ( -26.078 -4.500 -12.214) 29.146 18.135 ( -26.078 4.500 -12.214) 29.146 21.162 ( 17.827 -6.843 4.785) 19.685 21.162 ( 17.827 6.843 4.785) 19.685 21.653 ( 2.753 -7.744 -5.737) 10.023 21.653 ( 2.753 7.744 -5.737) 10.023 22.459 ( -2.763 -3.364 0.824) 4.431 22.459 ( -2.763 3.364 0.824) 4.431 22.652 ( -6.272 -1.180 -0.453) 6.398 22.652 ( -6.272 1.180 -0.453) 6.398 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 5.507 -6.483 -2.696) 8.924 2.193 ( 5.507 6.483 -2.696) 8.924 2.289 ( -4.331 -6.766 -6.231) 10.166 2.289 ( -4.331 6.766 -6.231) 10.166 2.513 ( 7.259 -7.661 -0.191) 10.556 2.513 ( 7.259 7.661 -0.191) 10.556 2.693 ( -11.044 -5.270 1.025) 12.280 2.693 ( -11.044 5.270 1.025) 12.280 3.924 ( 5.421 -9.108 12.410) 16.320 3.924 ( 5.421 9.108 12.410) 16.320 4.004 ( -2.665 -9.606 10.509) 14.485 4.004 ( -2.665 9.606 10.509) 14.485 4.789 ( 3.637 -8.590 2.417) 9.636 4.789 ( 3.637 8.590 2.417) 9.636 4.848 ( -2.233 -7.869 1.828) 8.381 4.848 ( -2.233 7.869 1.828) 8.381 5.588 ( 0.029 -2.684 0.712) 2.777 5.588 ( 0.029 2.684 0.712) 2.777 5.615 ( -2.416 -2.823 1.114) 3.879 5.615 ( -2.416 2.823 1.114) 3.879 5.935 ( 5.566 -3.241 2.546) 6.926 5.935 ( 5.566 3.241 2.546) 6.926 6.060 ( -7.848 -4.243 2.831) 9.360 6.060 ( -7.848 4.243 2.831) 9.360 6.674 ( 5.523 -2.535 -3.528) 7.027 6.674 ( 5.523 2.535 -3.528) 7.027 6.798 ( -6.906 -3.462 -2.979) 8.279 6.798 ( -6.906 3.462 -2.979) 8.280 7.121 ( 11.806 -2.851 3.749) 12.711 7.121 ( 11.806 2.851 3.749) 12.711 7.355 ( -12.069 -4.022 3.821) 13.283 7.355 ( -12.069 4.022 3.821) 13.283 8.119 ( 11.711 -8.800 -0.688) 14.666 8.119 ( 11.711 8.800 -0.688) 14.666 8.309 ( -7.713 -9.692 -0.084) 12.387 8.309 ( -7.713 9.692 -0.084) 12.387 8.793 ( 6.171 -4.111 -9.157) 11.782 8.793 ( 6.171 4.111 -9.157) 11.782 8.904 ( -5.008 -6.310 -9.524) 12.474 8.904 ( -5.008 6.310 -9.524) 12.474 9.514 ( 1.497 -5.274 -12.700) 13.833 9.514 ( 1.497 5.274 -12.700) 13.833 9.557 ( -2.815 -5.801 -12.253) 13.846 9.557 ( -2.815 5.801 -12.253) 13.846 10.810 ( 0.837 -1.086 3.034) 3.329 10.810 ( 0.837 1.086 3.034) 3.329 10.830 ( -1.043 -1.618 2.323) 3.017 10.830 ( -1.043 1.618 2.323) 3.017 11.118 ( 5.634 -1.806 0.573) 5.944 11.118 ( 5.634 1.806 0.573) 5.944 11.245 ( -7.420 -2.263 -1.223) 7.853 11.245 ( -7.420 2.263 -1.223) 7.853 11.779 ( 9.091 -3.112 1.325) 9.700 11.779 ( 9.091 3.112 1.325) 9.700 11.945 ( -7.221 -3.287 2.508) 8.321 11.945 ( -7.221 3.287 2.508) 8.321 12.245 ( 5.302 -2.939 4.594) 7.606 12.245 ( 5.302 2.939 4.594) 7.606 12.370 ( -6.868 -3.579 5.179) 9.317 12.370 ( -6.868 3.579 5.179) 9.317 13.458 ( 0.866 -10.946 8.097) 13.643 13.458 ( 0.866 10.946 8.097) 13.643 13.487 ( -2.071 -10.513 7.686) 13.187 13.487 ( -2.071 10.513 7.686) 13.187 14.000 ( 5.319 -3.549 0.463) 6.411 14.000 ( 5.319 3.549 0.463) 6.411 14.072 ( -2.077 -2.559 2.019) 3.865 14.072 ( -2.077 2.559 2.019) 3.865 16.020 ( 12.888 -2.761 -7.262) 15.048 16.020 ( 12.888 2.761 -7.262) 15.048 16.235 ( -9.556 -1.900 -2.334) 10.018 16.235 ( -9.556 1.900 -2.334) 10.018 17.041 ( 22.122 -1.455 7.286) 23.336 17.041 ( 22.122 1.455 7.286) 23.336 17.562 ( -31.168 -3.253 -1.098) 31.357 17.562 ( -31.168 3.253 -1.098) 31.357 21.507 ( 15.391 -6.473 -1.130) 16.734 21.507 ( 15.391 6.473 -1.130) 16.734 21.676 ( -2.306 -6.851 -4.644) 8.591 21.676 ( -2.306 6.851 -4.644) 8.591 22.423 ( 0.441 -4.228 0.842) 4.334 22.423 ( 0.441 4.228 0.842) 4.334 22.507 ( -7.633 -3.129 -0.007) 8.249 22.507 ( -7.633 3.129 -0.007) 8.249 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 0.000 18.401) 18.401 2.182 ( 0.000 0.000 -10.139) 10.139 2.202 ( 0.000 0.000 23.402) 23.402 2.485 ( 0.000 0.000 16.621) 16.621 2.784 ( 0.000 0.000 18.302) 18.302 2.808 ( 0.000 0.000 -5.779) 5.779 3.016 ( 0.000 0.000 16.882) 16.882 3.176 ( 0.000 0.000 -19.025) 19.025 3.216 ( 0.000 0.000 3.683) 3.683 3.509 ( 0.000 0.000 -16.815) 16.815 3.538 ( 0.000 0.000 -1.090) 1.090 3.653 ( 0.000 0.000 8.768) 8.768 3.716 ( 0.000 0.000 -9.440) 9.440 4.055 ( 0.000 0.000 -11.403) 11.403 4.511 ( 0.000 0.000 11.208) 11.208 4.856 ( 0.000 0.000 15.269) 15.269 4.991 ( 0.000 0.000 -11.999) 11.999 5.353 ( 0.000 0.000 2.706) 2.706 5.558 ( 0.000 0.000 1.390) 1.390 5.675 ( 0.000 0.000 -18.283) 18.283 5.738 ( 0.000 0.000 7.418) 7.418 5.782 ( 0.000 0.000 -5.203) 5.203 5.907 ( 0.000 0.000 -11.733) 11.733 6.118 ( 0.000 0.000 -8.464) 8.464 6.203 ( 0.000 0.000 9.130) 9.130 6.205 ( 0.000 0.000 10.501) 10.501 6.261 ( 0.000 0.000 0.780) 0.780 6.334 ( 0.000 0.000 -4.062) 4.062 6.800 ( 0.000 0.000 12.124) 12.124 7.139 ( 0.000 0.000 -1.999) 1.999 7.249 ( 0.000 0.000 10.162) 10.162 7.724 ( 0.000 0.000 -5.763) 5.763 8.030 ( 0.000 0.000 1.912) 1.912 8.152 ( 0.000 0.000 -6.285) 6.285 8.696 ( 0.000 0.000 15.936) 15.936 8.697 ( 0.000 0.000 -24.143) 24.143 8.801 ( 0.000 0.000 -20.944) 20.944 8.929 ( 0.000 0.000 16.694) 16.694 9.137 ( 0.000 0.000 7.147) 7.147 9.344 ( 0.000 0.000 5.750) 5.750 9.417 ( 0.000 0.000 -14.188) 14.188 9.703 ( 0.000 0.000 -13.244) 13.244 9.925 ( 0.000 0.000 10.899) 10.899 10.273 ( 0.000 0.000 0.347) 0.347 10.281 ( 0.000 0.000 -3.861) 3.861 10.301 ( 0.000 0.000 -9.382) 9.382 10.474 ( 0.000 0.000 -0.886) 0.886 10.509 ( 0.000 0.000 4.413) 4.413 10.667 ( 0.000 0.000 -2.679) 2.679 10.788 ( 0.000 0.000 -7.739) 7.739 11.538 ( 0.000 0.000 6.436) 6.436 11.739 ( 0.000 0.000 -3.290) 3.290 11.803 ( 0.000 0.000 8.897) 8.897 11.923 ( 0.000 0.000 0.749) 0.749 12.233 ( 0.000 0.000 0.278) 0.278 12.269 ( 0.000 0.000 5.799) 5.799 12.305 ( 0.000 0.000 -4.848) 4.848 12.313 ( 0.000 0.000 -0.734) 0.734 12.493 ( 0.000 0.000 5.552) 5.552 12.814 ( 0.000 0.000 7.757) 7.757 12.862 ( 0.000 0.000 -9.307) 9.307 12.871 ( 0.000 0.000 1.832) 1.832 12.956 ( 0.000 0.000 -0.717) 0.717 13.157 ( 0.000 0.000 -8.013) 8.013 13.798 ( 0.000 0.000 -1.752) 1.752 13.808 ( 0.000 0.000 -1.965) 1.965 13.895 ( 0.000 0.000 0.959) 0.959 14.020 ( 0.000 0.000 -5.199) 5.199 15.574 ( 0.000 0.000 15.241) 15.241 15.654 ( 0.000 0.000 1.366) 1.366 16.035 ( 0.000 0.000 0.566) 0.566 16.517 ( 0.000 0.000 -11.051) 11.051 16.632 ( 0.000 0.000 2.765) 2.765 16.672 ( 0.000 0.000 2.145) 2.145 17.811 ( 0.000 0.000 7.704) 7.704 18.283 ( 0.000 0.000 -9.622) 9.622 21.072 ( 0.000 0.000 21.116) 21.116 21.503 ( 0.000 0.000 3.512) 3.512 21.507 ( 0.000 0.000 2.971) 2.971 21.924 ( 0.000 0.000 -21.375) 21.375 22.658 ( 0.000 0.000 1.797) 1.797 22.676 ( 0.000 0.000 0.804) 0.804 22.845 ( 0.000 0.000 2.611) 2.611 23.080 ( 0.000 0.000 -8.446) 8.446 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 17.739 0.000 16.689) 24.356 2.210 ( 1.014 0.000 21.438) 21.462 2.322 ( 13.695 0.000 -8.881) 16.323 2.426 ( -5.133 0.000 14.489) 15.371 2.790 ( 0.533 0.000 17.787) 17.795 2.874 ( 6.079 0.000 -2.947) 6.756 2.887 ( -11.721 0.000 13.932) 18.207 3.157 ( -6.198 0.000 3.585) 7.160 3.178 ( -0.565 0.000 -14.198) 14.209 3.362 ( -12.540 0.000 -7.344) 14.532 3.608 ( 5.169 0.000 -8.904) 10.295 3.671 ( 2.367 0.000 4.671) 5.237 3.751 ( 1.906 0.000 -8.541) 8.751 4.009 ( -4.610 0.000 -10.834) 11.774 4.534 ( 2.361 0.000 10.801) 11.056 4.786 ( -5.284 0.000 9.700) 11.046 5.062 ( 5.464 0.000 -5.130) 7.495 5.338 ( -2.087 0.000 4.564) 5.019 5.500 ( -2.682 0.000 -8.252) 8.677 5.656 ( -3.638 0.000 -14.848) 15.288 5.776 ( 3.561 0.000 7.155) 7.993 5.849 ( 7.215 0.000 -4.397) 8.449 5.979 ( 6.141 0.000 -8.791) 10.724 6.036 ( -6.010 0.000 3.118) 6.771 6.211 ( 1.685 0.000 2.255) 2.815 6.230 ( -3.220 0.000 0.410) 3.246 6.254 ( 2.194 0.000 4.805) 5.282 6.308 ( -2.800 0.000 -4.238) 5.079 6.870 ( 6.486 0.000 12.797) 14.347 7.140 ( -0.315 0.000 0.354) 0.474 7.221 ( -1.903 0.000 9.316) 9.508 7.612 ( -9.406 0.000 -1.969) 9.609 8.106 ( 5.264 0.000 -3.981) 6.599 8.177 ( 2.296 0.000 -7.290) 7.643 8.694 ( 0.188 0.000 -22.379) 22.380 8.707 ( 1.147 0.000 16.204) 16.245 8.795 ( -0.758 0.000 -20.600) 20.613 8.885 ( -3.841 0.000 16.899) 17.330 9.181 ( 3.857 0.000 4.975) 6.295 9.394 ( 5.137 0.000 5.169) 7.287 9.399 ( -1.948 0.000 -12.134) 12.290 9.688 ( -1.488 0.000 -7.982) 8.119 9.989 ( 5.849 0.000 5.148) 7.792 10.265 ( -0.520 0.000 -1.867) 1.938 10.278 ( -0.454 0.000 0.088) 0.463 10.279 ( -2.337 0.000 -8.093) 8.424 10.490 ( 1.613 0.000 -0.387) 1.659 10.528 ( 1.765 0.000 3.219) 3.671 10.660 ( -0.525 0.000 -3.776) 3.812 10.770 ( -1.864 0.000 -7.878) 8.095 11.548 ( 1.144 0.000 5.387) 5.507 11.707 ( -3.018 0.000 -2.162) 3.713 11.770 ( -2.841 0.000 8.846) 9.291 11.879 ( -4.245 0.000 1.258) 4.428 12.175 ( -4.651 0.000 -0.633) 4.693 12.266 ( -4.286 0.000 -5.199) 6.738 12.310 ( 3.465 0.000 4.021) 5.308 12.336 ( 2.644 0.000 -0.222) 2.653 12.482 ( -1.043 0.000 6.335) 6.420 12.718 ( -6.364 0.000 3.493) 7.259 12.874 ( 0.687 0.000 2.201) 2.306 12.945 ( 4.981 0.000 -4.930) 7.008 12.953 ( -0.363 0.000 -0.535) 0.646 13.142 ( -1.516 0.000 -7.810) 7.956 13.755 ( -0.964 0.000 0.765) 1.230 13.847 ( 0.461 0.000 -2.305) 2.350 13.927 ( 3.181 0.000 -0.894) 3.304 14.039 ( 1.374 0.000 -4.953) 5.140 15.532 ( -1.397 0.000 8.009) 8.130 15.691 ( -0.293 0.000 -0.619) 0.685 16.055 ( 3.405 0.000 5.015) 6.062 16.390 ( -7.237 0.000 -4.517) 8.531 16.765 ( 11.449 0.000 3.520) 11.978 16.867 ( 16.213 0.000 -0.596) 16.224 17.705 ( -10.561 0.000 7.705) 13.073 18.099 ( -17.971 0.000 -6.420) 19.083 21.182 ( 10.147 0.000 17.296) 20.053 21.532 ( 2.254 0.000 3.143) 3.868 21.587 ( 7.782 0.000 2.146) 8.072 21.930 ( 0.229 0.000 -17.911) 17.912 22.615 ( -2.591 0.000 2.889) 3.881 22.677 ( -1.038 0.000 0.006) 1.038 22.834 ( -1.135 0.000 0.107) 1.140 23.017 ( -6.103 0.000 -8.055) 10.106 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 22.514 0.000 14.810) 26.948 2.247 ( 3.004 0.000 17.476) 17.733 2.325 ( -5.033 0.000 14.478) 15.328 2.561 ( -14.087 0.000 15.358) 20.840 2.666 ( 14.163 0.000 -7.797) 16.167 2.844 ( 2.781 0.000 13.206) 13.496 3.007 ( 7.255 0.000 -1.513) 7.411 3.009 ( -7.894 0.000 1.984) 8.140 3.075 ( -15.783 0.000 -4.831) 16.506 3.128 ( -4.852 0.000 -5.256) 7.153 3.703 ( 4.259 0.000 -8.098) 9.149 3.756 ( 6.366 0.000 -3.740) 7.383 3.758 ( -1.348 0.000 -8.130) 8.241 3.892 ( -7.283 0.000 -8.798) 11.421 4.597 ( 4.129 0.000 9.843) 10.674 4.686 ( -5.091 0.000 8.953) 10.299 5.168 ( 5.456 0.000 -0.716) 5.503 5.267 ( -4.852 0.000 3.216) 5.821 5.502 ( 2.455 0.000 -13.224) 13.449 5.573 ( -4.537 0.000 -14.663) 15.349 5.851 ( 3.946 0.000 6.765) 7.832 5.931 ( -4.800 0.000 6.172) 7.819 6.000 ( 7.899 0.000 -2.343) 8.239 6.101 ( 4.583 0.000 -5.851) 7.432 6.146 ( -3.812 0.000 -1.010) 3.943 6.230 ( -5.301 0.000 -4.775) 7.135 6.251 ( 2.186 0.000 2.002) 2.964 6.276 ( -0.043 0.000 1.309) 1.309 6.999 ( 6.002 0.000 12.401) 13.777 7.093 ( -4.238 0.000 9.705) 10.590 7.253 ( 6.012 0.000 2.283) 6.430 7.419 ( -10.270 0.000 0.849) 10.305 8.182 ( 2.768 0.000 -9.036) 9.450 8.209 ( 0.234 0.000 -9.523) 9.526 8.719 ( 2.380 0.000 -19.754) 19.896 8.743 ( 2.665 0.000 16.746) 16.957 8.767 ( -2.190 0.000 -19.726) 19.847 8.807 ( -3.996 0.000 17.060) 17.522 9.264 ( 4.548 0.000 -0.405) 4.566 9.344 ( -3.703 0.000 -6.853) 7.789 9.520 ( 7.212 0.000 2.734) 7.713 9.636 ( -4.449 0.000 -1.781) 4.792 10.111 ( 6.288 0.000 -1.078) 6.379 10.214 ( -4.451 0.000 -4.966) 6.669 10.260 ( 0.045 0.000 -0.797) 0.799 10.267 ( -0.612 0.000 0.959) 1.137 10.526 ( 1.942 0.000 1.278) 2.325 10.551 ( -0.130 0.000 2.597) 2.600 10.668 ( 1.867 0.000 -7.002) 7.247 10.721 ( -3.099 0.000 -7.996) 8.575 11.583 ( 2.507 0.000 2.934) 3.859 11.642 ( -3.526 0.000 0.195) 3.532 11.734 ( 0.093 0.000 7.277) 7.277 11.785 ( -4.749 0.000 3.794) 6.078 12.116 ( -0.404 0.000 -2.915) 2.943 12.166 ( -5.035 0.000 -5.004) 7.098 12.366 ( 2.598 0.000 1.013) 2.788 12.396 ( 0.903 0.000 -1.364) 1.636 12.483 ( 3.207 0.000 9.083) 9.632 12.592 ( -6.711 0.000 5.349) 8.582 12.902 ( 2.011 0.000 1.577) 2.556 12.937 ( -1.435 0.000 0.240) 1.455 13.032 ( 4.137 0.000 -6.063) 7.340 13.100 ( -2.937 0.000 -7.165) 7.743 13.770 ( 2.288 0.000 1.777) 2.897 13.822 ( -2.589 0.000 0.409) 2.621 13.997 ( 3.570 0.000 -3.640) 5.098 14.045 ( -1.135 0.000 -4.747) 4.880 15.548 ( 2.935 0.000 1.607) 3.346 15.628 ( -4.887 0.000 -2.565) 5.519 16.154 ( 5.922 0.000 4.159) 7.237 16.266 ( -5.988 0.000 -0.460) 6.006 17.072 ( 19.276 0.000 6.325) 20.287 17.215 ( 19.687 0.000 3.109) 19.931 17.442 ( -15.699 0.000 5.198) 16.537 17.673 ( -24.678 0.000 -1.286) 24.711 21.391 ( 10.301 0.000 9.832) 14.240 21.530 ( -3.626 0.000 4.297) 5.623 21.768 ( 9.746 0.000 -0.958) 9.793 21.903 ( -3.910 0.000 -8.622) 9.467 22.599 ( 1.247 0.000 1.759) 2.156 22.641 ( -2.430 0.000 0.390) 2.461 22.819 ( 0.478 0.000 -4.546) 4.571 22.885 ( -6.402 0.000 -7.143) 9.592 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 4.550 16.767) 17.374 2.039 ( 0.000 -4.880 12.408) 13.333 2.209 ( 0.000 -6.349 6.769) 9.280 2.426 ( 0.000 -2.060 8.879) 9.115 2.888 ( 0.000 0.870 -7.836) 7.884 2.965 ( 0.000 -9.404 -17.791) 20.123 3.045 ( 0.000 18.660 18.353) 26.173 3.153 ( 0.000 13.994 14.335) 20.033 3.264 ( 0.000 0.254 0.372) 0.450 3.413 ( 0.000 -7.290 1.227) 7.393 3.592 ( 0.000 -5.170 -4.619) 6.933 3.679 ( 0.000 12.018 -13.018) 17.717 3.862 ( 0.000 14.544 6.935) 16.113 4.182 ( 0.000 9.071 -8.207) 12.233 4.682 ( 0.000 14.981 8.304) 17.128 4.983 ( 0.000 11.133 12.154) 16.482 5.128 ( 0.000 11.656 -12.390) 17.011 5.391 ( 0.000 3.346 1.690) 3.749 5.568 ( 0.000 -1.745 2.960) 3.436 5.695 ( 0.000 -0.030 3.082) 3.082 5.730 ( 0.000 3.890 -16.519) 16.971 5.833 ( 0.000 4.291 -3.126) 5.309 5.891 ( 0.000 -4.191 -6.163) 7.453 6.035 ( 0.000 -1.279 -10.588) 10.665 6.194 ( 0.000 0.276 6.275) 6.281 6.202 ( 0.000 0.235 8.610) 8.614 6.372 ( 0.000 9.214 3.217) 9.760 6.498 ( 0.000 12.389 -2.618) 12.663 6.786 ( 0.000 -0.753 11.409) 11.434 7.121 ( 0.000 -1.722 1.232) 2.117 7.180 ( 0.000 -4.395 7.186) 8.424 7.674 ( 0.000 -4.166 -7.021) 8.164 8.009 ( 0.000 -1.967 2.457) 3.147 8.133 ( 0.000 -1.579 -4.075) 4.370 8.646 ( 0.000 -5.381 -20.631) 21.321 8.720 ( 0.000 -6.664 -18.366) 19.538 8.758 ( 0.000 -12.069 13.073) 17.792 8.838 ( 0.000 11.446 14.281) 18.302 9.182 ( 0.000 2.012 1.409) 2.456 9.306 ( 0.000 -5.850 2.889) 6.524 9.461 ( 0.000 -0.355 -5.540) 5.552 9.595 ( 0.000 -8.994 -12.817) 15.658 9.821 ( 0.000 -3.133 5.561) 6.383 10.036 ( 0.000 -15.874 -7.826) 17.698 10.397 ( 0.000 5.996 -0.176) 5.999 10.430 ( 0.000 11.609 -1.800) 11.747 10.573 ( 0.000 7.672 1.507) 7.819 10.610 ( 0.000 6.858 4.411) 8.153 10.775 ( 0.000 7.474 -4.834) 8.901 10.872 ( 0.000 6.720 -8.746) 11.029 11.516 ( 0.000 -1.531 5.696) 5.898 11.632 ( 0.000 -7.677 3.534) 8.451 11.815 ( 0.000 -1.095 0.892) 1.412 11.847 ( 0.000 -6.570 1.075) 6.658 12.202 ( 0.000 -0.452 1.502) 1.568 12.257 ( 0.000 -3.051 -2.799) 4.141 12.289 ( 0.000 -1.124 1.956) 2.256 12.321 ( 0.000 -0.169 -0.920) 0.936 12.526 ( 0.000 1.761 6.413) 6.651 12.639 ( 0.000 -10.187 2.473) 10.483 12.812 ( 0.000 4.425 6.811) 8.122 13.056 ( 0.000 7.181 3.301) 7.904 13.080 ( 0.000 12.660 -8.793) 15.414 13.337 ( 0.000 12.900 -9.276) 15.889 13.838 ( 0.000 3.141 -0.120) 3.144 13.855 ( 0.000 3.657 -1.213) 3.853 13.894 ( 0.000 0.163 -0.105) 0.194 14.011 ( 0.000 -0.651 -5.198) 5.239 15.617 ( 0.000 3.372 10.939) 11.447 15.629 ( 0.000 -2.388 1.529) 2.836 16.081 ( 0.000 4.726 3.560) 5.917 16.581 ( 0.000 5.334 -9.243) 10.671 16.635 ( 0.000 0.302 2.708) 2.724 16.679 ( 0.000 0.914 1.308) 1.596 17.814 ( 0.000 0.466 6.172) 6.190 18.279 ( 0.000 -0.444 -10.254) 10.264 21.068 ( 0.000 -0.370 20.001) 20.004 21.475 ( 0.000 -3.040 3.430) 4.583 21.491 ( 0.000 -1.031 2.830) 3.012 21.872 ( 0.000 -4.715 -20.175) 20.719 22.629 ( 0.000 -2.663 2.209) 3.460 22.660 ( 0.000 -1.567 0.491) 1.642 22.818 ( 0.000 -2.427 1.877) 3.068 23.011 ( 0.000 -6.074 -6.803) 9.120 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 16.309 3.061 15.142) 22.464 2.092 ( 4.174 -5.952 18.347) 19.735 2.230 ( 1.288 -8.338 8.569) 12.025 2.452 ( 4.772 0.135 1.177) 4.917 2.856 ( -2.601 3.198 -4.410) 6.036 2.926 ( -3.260 -10.777 -13.547) 17.615 2.979 ( -13.980 8.121 11.517) 19.850 3.123 ( 6.595 17.116 12.629) 22.270 3.262 ( -9.271 -2.609 -3.581) 10.275 3.371 ( 2.004 2.907 4.347) 5.600 3.602 ( -0.160 -2.020 -2.625) 3.316 3.657 ( -1.438 8.014 -8.689) 11.908 3.912 ( 4.358 14.393 1.901) 15.158 4.160 ( -2.352 10.109 -7.548) 12.833 4.702 ( 2.025 14.779 8.111) 16.980 4.927 ( -4.514 12.438 7.980) 15.452 5.181 ( 4.218 10.097 -6.657) 12.809 5.385 ( -1.087 4.108 3.412) 5.450 5.525 ( -2.608 0.543 -5.289) 5.922 5.670 ( -3.787 -0.680 -9.078) 9.859 5.730 ( 2.257 -0.924 -1.191) 2.714 5.896 ( 2.862 -0.598 -3.794) 4.790 5.937 ( 4.160 0.237 -0.837) 4.250 6.054 ( 2.731 1.934 -7.559) 8.266 6.177 ( -1.177 -0.877 6.228) 6.399 6.201 ( 0.101 1.108 3.268) 3.452 6.359 ( -0.919 9.685 2.204) 9.976 6.489 ( -1.617 12.291 -3.360) 12.844 6.851 ( 6.207 -1.178 12.248) 13.781 7.124 ( -0.618 -0.983 0.229) 1.184 7.144 ( -2.182 -5.861 10.193) 11.959 7.562 ( -9.525 -4.203 -2.778) 10.775 8.082 ( 5.212 -2.073 -3.429) 6.574 8.157 ( 2.102 -1.634 -6.140) 6.692 8.646 ( 0.497 -4.558 -19.485) 20.018 8.722 ( 0.295 -6.149 -16.315) 17.438 8.776 ( 1.444 -9.491 11.594) 15.053 8.833 ( -0.441 9.500 13.878) 16.823 9.188 ( 0.934 0.520 1.351) 1.723 9.348 ( 3.975 -4.486 0.739) 6.039 9.411 ( -4.024 -3.724 -1.781) 5.765 9.612 ( 0.112 -4.781 -9.917) 11.010 9.841 ( 2.649 -8.074 2.428) 8.838 10.030 ( -0.879 -14.958 -7.335) 16.682 10.401 ( 0.378 7.169 -0.298) 7.185 10.428 ( -0.350 11.310 -0.198) 11.317 10.574 ( 0.953 6.543 0.160) 6.614 10.632 ( 1.572 7.261 4.009) 8.442 10.765 ( -0.812 7.409 -5.181) 9.077 10.852 ( -2.000 6.654 -8.492) 10.972 11.534 ( 1.556 -1.201 4.757) 5.147 11.601 ( -2.713 -7.389 4.121) 8.885 11.795 ( -1.820 -0.296 1.236) 2.220 11.804 ( -3.816 -6.457 0.930) 7.557 12.131 ( -5.292 -1.717 0.211) 5.567 12.211 ( -4.678 -3.778 -3.583) 7.000 12.332 ( 3.471 0.559 1.926) 4.009 12.352 ( 2.277 -0.231 -0.366) 2.318 12.520 ( -0.337 2.410 7.103) 7.509 12.638 ( -0.683 -7.364 2.605) 7.840 12.811 ( 0.572 3.531 6.960) 7.825 13.030 ( -2.442 5.724 3.419) 7.100 13.116 ( 3.342 13.054 -8.776) 16.081 13.317 ( -1.976 12.662 -8.770) 15.529 13.793 ( -0.787 3.069 1.320) 3.433 13.902 ( 0.847 4.488 -0.910) 4.657 13.925 ( 2.955 -0.046 -2.341) 3.770 14.031 ( 1.539 -0.569 -4.492) 4.783 15.566 ( -0.920 2.482 5.463) 6.071 15.694 ( 1.495 0.400 -0.201) 1.560 16.093 ( 1.902 3.706 5.824) 7.160 16.414 ( -8.809 2.125 -3.775) 9.816 16.771 ( 11.680 0.563 3.721) 12.271 16.884 ( 15.363 1.666 -0.761) 15.472 17.706 ( -10.748 0.188 6.574) 12.601 18.094 ( -18.051 -0.523 -6.952) 19.351 21.180 ( 10.374 -0.124 16.281) 19.306 21.513 ( 2.762 -1.815 3.219) 4.613 21.569 ( 7.924 -1.612 1.621) 8.247 21.885 ( 0.942 -4.108 -17.194) 17.703 22.586 ( -2.925 -2.636 3.144) 5.039 22.653 ( -1.349 -2.121 -0.142) 2.517 22.802 ( -1.603 -2.860 -0.162) 3.282 22.949 ( -6.012 -6.025 -6.411) 10.656 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 8.799 -3.330 17.522) 19.888 2.207 ( -1.709 -6.867 16.080) 17.568 2.226 ( 15.704 -3.374 14.681) 21.760 2.608 ( -12.249 -2.129 3.716) 12.976 2.682 ( 7.501 1.675 0.202) 7.689 2.838 ( -0.438 2.812 -3.322) 4.375 2.871 ( -2.495 -4.417 -9.007) 10.337 2.999 ( -16.197 -4.506 -6.218) 17.925 3.265 ( 7.654 15.663 9.347) 19.781 3.380 ( -3.234 11.582 5.686) 13.302 3.598 ( 1.050 1.516 -2.849) 3.394 3.632 ( -1.677 0.920 -5.641) 5.957 4.004 ( 5.051 13.768 -2.934) 14.956 4.095 ( -4.292 12.195 -5.807) 14.173 4.757 ( 3.688 14.234 7.556) 16.532 4.837 ( -4.639 13.532 6.999) 15.925 5.263 ( 4.171 8.069 -1.541) 9.213 5.337 ( -3.574 6.026 2.817) 7.551 5.521 ( 2.124 0.508 -11.306) 11.515 5.586 ( -4.348 0.031 -12.362) 13.105 5.795 ( 3.910 -3.336 2.363) 5.657 5.868 ( -3.526 -4.074 0.935) 5.469 6.048 ( 5.482 1.573 1.651) 5.937 6.111 ( 0.304 -2.186 2.044) 3.008 6.160 ( 1.087 2.610 -1.653) 3.275 6.202 ( -1.170 5.538 -2.236) 6.086 6.365 ( 2.365 10.003 0.225) 10.281 6.434 ( -3.874 11.072 -2.800) 12.060 6.972 ( 5.222 -1.722 11.736) 12.960 7.054 ( -4.194 -3.148 9.671) 11.002 7.195 ( 6.389 -4.472 3.059) 8.377 7.365 ( -10.455 -4.382 0.973) 11.377 8.159 ( 2.706 -1.982 -8.714) 9.338 8.184 ( 0.121 -2.009 -9.316) 9.531 8.676 ( 2.446 -3.734 -17.519) 18.079 8.717 ( -1.262 -3.989 -18.269) 18.742 8.802 ( 1.231 -3.084 14.101) 14.487 8.822 ( -0.812 4.338 13.355) 14.065 9.229 ( 3.518 -2.668 0.309) 4.426 9.314 ( -4.973 -3.803 -3.090) 6.981 9.458 ( 6.227 -5.141 3.570) 8.829 9.568 ( -4.594 -3.775 -2.265) 6.362 9.918 ( 4.695 -12.710 -3.727) 14.052 9.994 ( -2.993 -13.861 -6.279) 15.509 10.409 ( 0.434 9.235 0.130) 9.246 10.418 ( -0.556 10.529 0.861) 10.579 10.611 ( 2.486 6.164 -0.244) 6.651 10.646 ( -0.628 6.693 2.542) 7.187 10.762 ( 1.005 7.170 -6.213) 9.540 10.803 ( -2.868 6.688 -7.488) 10.442 11.549 ( -0.007 -5.019 4.221) 6.558 11.563 ( -1.059 -4.849 2.735) 5.666 11.745 ( -0.839 -2.539 2.708) 3.805 11.763 ( -1.688 1.212 1.594) 2.619 12.059 ( -1.048 -3.733 -2.113) 4.416 12.106 ( -5.254 -4.269 -3.874) 7.800 12.385 ( 1.492 0.960 0.634) 1.884 12.389 ( 1.245 -0.827 0.113) 1.499 12.533 ( 2.161 2.511 7.432) 8.137 12.595 ( -3.538 -0.752 4.508) 5.780 12.864 ( 4.760 1.694 6.142) 7.953 12.961 ( -4.761 3.380 4.882) 7.611 13.193 ( 4.289 13.010 -9.232) 16.519 13.267 ( -3.309 12.635 -8.658) 15.670 13.818 ( 2.969 4.114 1.854) 5.402 13.879 ( -2.792 4.992 0.614) 5.753 13.990 ( 3.461 -0.626 -3.947) 5.287 14.038 ( -1.211 -0.533 -4.424) 4.617 15.590 ( 3.188 3.807 0.925) 5.051 15.665 ( -3.778 3.415 -2.799) 5.812 16.160 ( 4.823 0.543 3.973) 6.272 16.269 ( -6.595 0.105 -0.557) 6.619 17.081 ( 19.163 0.812 6.078) 20.121 17.215 ( 19.246 -0.026 3.066) 19.489 17.441 ( -15.706 0.023 4.949) 16.467 17.667 ( -24.752 -0.632 -1.416) 24.801 21.391 ( 10.214 0.101 9.111) 13.687 21.523 ( -2.967 -0.607 4.008) 5.023 21.750 ( 9.533 -1.641 -1.543) 9.796 21.876 ( -3.048 -2.615 -8.851) 9.719 22.563 ( 1.129 -3.292 2.039) 4.034 22.611 ( -2.906 -2.788 0.256) 4.035 22.774 ( -0.476 -4.053 -3.806) 5.581 22.822 ( -5.754 -5.529 -5.637) 9.770 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 9.104 13.224) 16.055 2.008 ( 0.000 1.551 14.763) 14.844 2.088 ( 0.000 -3.779 6.305) 7.351 2.360 ( 0.000 -3.201 -0.294) 3.215 2.679 ( 0.000 -11.797 -14.762) 18.897 2.824 ( 0.000 -11.753 -15.693) 19.606 3.216 ( 0.000 -5.280 1.397) 5.461 3.238 ( 0.000 -7.640 1.512) 7.789 3.468 ( 0.000 19.323 16.142) 25.178 3.539 ( 0.000 20.113 12.698) 23.786 3.695 ( 0.000 14.026 3.012) 14.346 3.940 ( 0.000 11.532 -6.866) 13.421 4.193 ( 0.000 16.415 4.707) 17.077 4.368 ( 0.000 8.197 -2.959) 8.715 5.015 ( 0.000 11.705 2.884) 12.055 5.259 ( 0.000 14.045 7.175) 15.772 5.314 ( 0.000 -1.118 -11.005) 11.062 5.460 ( 0.000 3.780 1.390) 4.028 5.497 ( 0.000 -0.280 3.982) 3.992 5.748 ( 0.000 3.744 -7.527) 8.407 5.801 ( 0.000 8.536 0.682) 8.563 5.899 ( 0.000 2.081 -1.662) 2.664 5.916 ( 0.000 2.375 -0.736) 2.486 6.027 ( 0.000 1.415 -9.774) 9.876 6.264 ( 0.000 7.196 4.336) 8.402 6.307 ( 0.000 10.594 -1.305) 10.674 6.555 ( 0.000 5.947 8.870) 10.679 6.771 ( 0.000 6.278 10.887) 12.567 6.811 ( 0.000 9.231 -3.110) 9.741 7.089 ( 0.000 0.243 9.753) 9.756 7.175 ( 0.000 5.245 -3.598) 6.361 7.593 ( 0.000 -2.359 -8.176) 8.510 7.951 ( 0.000 -3.505 4.332) 5.573 8.091 ( 0.000 -2.723 3.400) 4.356 8.439 ( 0.000 -10.792 -1.270) 10.867 8.557 ( 0.000 -8.305 -16.865) 18.799 8.588 ( 0.000 -5.325 -12.960) 14.011 9.031 ( 0.000 1.221 2.742) 3.002 9.043 ( 0.000 -17.080 11.483) 20.581 9.157 ( 0.000 -3.048 -5.399) 6.200 9.400 ( 0.000 -4.435 -6.730) 8.060 9.416 ( 0.000 -5.568 -4.868) 7.396 9.672 ( 0.000 -18.316 -7.472) 19.781 9.811 ( 0.000 -1.626 -1.479) 2.198 10.555 ( 0.000 8.698 3.827) 9.503 10.696 ( 0.000 12.462 -1.379) 12.538 10.727 ( 0.000 6.645 1.263) 6.764 10.756 ( 0.000 6.703 4.228) 7.925 10.901 ( 0.000 4.289 -4.612) 6.298 11.001 ( 0.000 5.053 -9.589) 10.839 11.467 ( 0.000 -7.540 6.914) 10.231 11.499 ( 0.000 0.092 3.571) 3.572 11.691 ( 0.000 -7.572 0.712) 7.606 11.746 ( 0.000 -4.848 -2.788) 5.592 12.190 ( 0.000 -3.107 0.992) 3.262 12.204 ( 0.000 -3.347 -0.778) 3.436 12.245 ( 0.000 0.296 2.816) 2.831 12.274 ( 0.000 -2.440 2.485) 3.482 12.535 ( 0.000 0.148 4.162) 4.165 12.566 ( 0.000 2.321 4.630) 5.179 13.016 ( 0.000 13.267 8.351) 15.677 13.233 ( 0.000 10.039 7.179) 12.342 13.362 ( 0.000 13.108 -8.399) 15.568 13.607 ( 0.000 11.779 -10.547) 15.811 13.859 ( 0.000 -1.014 1.584) 1.880 13.892 ( 0.000 -1.532 -0.263) 1.554 13.950 ( 0.000 4.618 -0.644) 4.662 14.026 ( 0.000 2.794 -3.425) 4.421 15.565 ( 0.000 -3.247 1.142) 3.442 15.668 ( 0.000 0.722 1.165) 1.370 16.241 ( 0.000 10.409 10.270) 14.623 16.644 ( 0.000 0.536 2.531) 2.588 16.658 ( 0.000 1.122 0.431) 1.202 16.748 ( 0.000 5.246 -3.583) 6.353 17.843 ( 0.000 2.706 0.351) 2.729 18.258 ( 0.000 -1.739 -11.986) 12.112 21.063 ( 0.000 0.144 17.003) 17.004 21.385 ( 0.000 -5.416 4.673) 7.154 21.467 ( 0.000 -1.043 0.857) 1.350 21.744 ( 0.000 -7.056 -16.781) 18.204 22.562 ( 0.000 -3.301 2.774) 4.312 22.613 ( 0.000 -2.792 -0.044) 2.793 22.758 ( 0.000 -3.028 0.283) 3.041 22.864 ( 0.000 -7.108 -3.905) 8.110 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 12.494 6.322 11.710) 18.254 2.025 ( 1.284 -0.048 15.910) 15.962 2.090 ( 0.041 -4.250 8.630) 9.620 2.408 ( 5.717 -2.770 -3.068) 7.055 2.686 ( 0.437 -10.932 -14.558) 18.211 2.778 ( -4.353 -10.651 -13.522) 17.755 3.058 ( -13.385 -2.357 2.478) 13.815 3.132 ( -10.512 -7.231 0.220) 12.761 3.512 ( 4.041 18.628 14.400) 23.889 3.592 ( 3.334 16.492 11.024) 20.115 3.732 ( 3.356 14.728 2.757) 15.355 3.926 ( -1.442 12.910 -4.244) 13.666 4.226 ( 3.041 15.349 2.910) 15.916 4.364 ( -0.590 9.000 -2.523) 9.366 5.039 ( 2.401 12.598 2.979) 13.167 5.231 ( -2.443 14.744 4.991) 15.756 5.344 ( 2.422 -1.976 -8.783) 9.323 5.470 ( 0.370 1.023 -0.359) 1.146 5.480 ( -0.937 2.605 4.132) 4.974 5.661 ( -6.310 5.488 -1.487) 8.494 5.776 ( -0.766 3.510 -5.391) 6.479 5.894 ( -1.538 3.296 -6.101) 7.103 5.969 ( 3.313 -1.534 3.643) 5.158 6.080 ( 3.310 2.195 -3.490) 5.287 6.246 ( 0.067 8.868 3.880) 9.680 6.353 ( 4.039 11.826 -3.128) 12.882 6.562 ( 0.936 7.475 6.671) 10.062 6.766 ( -4.093 11.609 -3.137) 12.702 6.856 ( 7.413 2.962 10.456) 13.155 7.057 ( -3.076 -1.122 9.073) 9.645 7.146 ( -2.402 4.993 -0.008) 5.541 7.480 ( -9.581 -2.284 -3.826) 10.566 8.028 ( 5.687 -2.924 -1.854) 6.657 8.119 ( 2.137 -2.066 -1.770) 3.460 8.476 ( 3.879 -10.761 -0.747) 11.463 8.559 ( 1.280 -7.527 -14.620) 16.494 8.618 ( 2.036 -5.514 -12.114) 13.465 8.925 ( -6.774 -6.867 10.574) 14.313 9.083 ( 1.229 -9.483 -4.645) 10.630 9.228 ( 6.123 -3.664 5.271) 8.871 9.317 ( -5.151 -4.716 -7.369) 10.152 9.488 ( 3.550 -5.755 -3.958) 7.835 9.647 ( -1.997 -16.039 -6.599) 17.458 9.793 ( -1.872 -4.266 -2.883) 5.479 10.573 ( 1.721 8.777 3.365) 9.556 10.679 ( -1.699 10.781 2.145) 11.122 10.726 ( 0.730 8.186 -2.005) 8.460 10.772 ( 0.660 5.542 3.846) 6.778 10.899 ( -0.079 5.000 -5.040) 7.100 10.983 ( -1.799 5.253 -8.857) 10.454 11.437 ( -2.642 -7.407 6.639) 10.291 11.509 ( -0.490 -1.684 1.823) 2.529 11.662 ( -0.682 -5.496 1.727) 5.801 11.754 ( 0.861 -3.045 -2.117) 3.807 12.121 ( -6.301 -0.653 -0.394) 6.347 12.141 ( -4.756 -2.156 -0.644) 5.261 12.300 ( 2.654 -2.116 2.896) 4.462 12.322 ( 4.993 -2.891 1.309) 5.916 12.525 ( -1.019 -1.499 5.091) 5.404 12.569 ( 0.192 1.619 4.317) 4.615 13.012 ( -0.071 13.458 8.988) 16.183 13.187 ( -3.847 9.574 7.093) 12.521 13.413 ( 4.120 13.775 -7.571) 16.249 13.584 ( -2.073 11.612 -8.865) 14.755 13.846 ( 0.803 1.015 0.993) 1.631 13.907 ( 2.192 -1.170 -1.584) 2.947 14.011 ( 2.982 3.923 -1.184) 5.068 14.040 ( 0.854 2.882 -2.223) 3.738 15.594 ( 3.356 0.027 1.439) 3.652 15.715 ( 3.884 1.198 -2.026) 4.542 16.209 ( -2.721 7.160 7.385) 10.640 16.464 ( -11.376 2.268 -1.722) 11.727 16.789 ( 12.395 1.175 4.503) 13.240 16.927 ( 12.641 1.965 0.397) 12.799 17.723 ( -11.667 1.849 2.179) 12.012 18.072 ( -18.136 -1.754 -8.395) 20.061 21.182 ( 10.970 0.512 13.507) 17.408 21.459 ( 5.678 -3.414 3.619) 7.549 21.528 ( 6.740 -2.018 -0.038) 7.036 21.772 ( 2.414 -6.380 -14.721) 16.225 22.520 ( -3.441 -3.215 3.432) 5.827 22.595 ( -2.062 -3.295 -0.435) 3.911 22.728 ( -2.962 -3.878 -0.758) 4.939 22.803 ( -5.839 -7.049 -3.509) 9.803 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 1.289 -2.886 14.738) 15.073 2.073 ( -1.220 -4.225 12.959) 13.685 2.214 ( 18.552 1.631 7.576) 20.105 2.528 ( -6.010 -5.283 -2.312) 8.329 2.639 ( 4.009 -3.345 -3.531) 6.303 2.741 ( 1.963 -9.575 -11.790) 15.315 2.829 ( -7.955 -5.257 -7.231) 11.967 2.884 ( -14.300 -5.477 -2.909) 15.587 3.590 ( 3.462 16.761 11.906) 20.849 3.625 ( -0.044 15.331 10.533) 18.601 3.807 ( 4.268 15.776 1.974) 16.461 3.882 ( -3.277 15.028 -0.346) 15.385 4.290 ( 3.257 13.417 0.392) 13.812 4.341 ( -1.958 11.079 -1.379) 11.335 5.099 ( 3.686 14.478 3.276) 15.295 5.171 ( -3.698 15.572 3.941) 16.483 5.391 ( 2.395 -2.981 -6.500) 7.541 5.435 ( -2.325 -2.410 -2.667) 4.280 5.505 ( 2.119 5.470 2.260) 6.287 5.561 ( -3.966 4.644 0.863) 6.167 5.791 ( 2.252 1.762 -5.923) 6.577 5.847 ( -3.138 1.488 -7.090) 7.895 6.023 ( 2.713 -0.989 5.629) 6.327 6.076 ( -2.600 0.157 4.280) 5.011 6.324 ( 6.296 11.175 -0.040) 12.826 6.402 ( -0.537 11.817 -2.753) 12.145 6.599 ( 2.925 9.877 2.095) 10.512 6.673 ( -4.916 9.293 -0.582) 10.529 6.992 ( 3.931 5.498 7.460) 10.066 7.008 ( -1.038 0.610 8.038) 8.127 7.127 ( 3.272 -0.667 3.695) 4.980 7.283 ( -10.432 -2.111 0.623) 10.662 8.114 ( 2.956 -2.009 -7.983) 8.747 8.142 ( -0.079 -1.718 -8.239) 8.416 8.569 ( 4.537 -7.021 -9.904) 12.960 8.607 ( 1.740 -6.930 -15.345) 16.927 8.654 ( 3.607 -7.770 2.479) 8.918 8.784 ( -7.917 -9.176 10.756) 16.204 9.121 ( 3.207 -8.018 -5.301) 10.133 9.207 ( -5.504 -5.924 -4.010) 9.026 9.364 ( 7.183 -5.310 3.711) 9.673 9.485 ( -4.561 -6.528 1.802) 8.165 9.658 ( 3.765 -11.425 -7.463) 14.157 9.738 ( -3.853 -8.204 -5.473) 10.588 10.612 ( 2.101 9.381 2.659) 9.974 10.647 ( -1.622 10.206 2.567) 10.648 10.748 ( 1.291 6.650 -1.079) 6.860 10.769 ( -0.816 4.768 1.983) 5.228 10.908 ( 1.179 6.321 -5.767) 8.637 10.942 ( -2.245 6.023 -7.182) 9.638 11.401 ( -0.115 -7.201 4.631) 8.562 11.446 ( -4.357 -6.301 1.959) 7.907 11.721 ( 5.359 0.365 1.500) 5.577 11.779 ( 0.576 0.542 -0.500) 0.935 12.003 ( -4.121 -1.652 -1.550) 4.703 12.031 ( -5.720 -2.528 -2.147) 6.612 12.358 ( 3.130 -1.878 3.270) 4.900 12.393 ( 0.780 -0.250 1.610) 1.806 12.516 ( 1.340 -4.133 4.465) 6.230 12.560 ( -1.718 -1.471 2.917) 3.691 13.033 ( 2.699 12.790 10.324) 16.657 13.106 ( -4.424 10.496 9.327) 14.721 13.487 ( 3.333 13.223 -7.241) 15.439 13.540 ( -2.430 11.968 -7.207) 14.180 13.906 ( 4.573 2.815 -0.427) 5.387 13.953 ( 1.343 -0.252 -2.295) 2.671 14.023 ( -0.771 5.698 -1.326) 5.900 14.039 ( -1.243 1.426 -1.762) 2.585 15.690 ( 5.937 5.410 -0.492) 8.047 15.763 ( -0.367 5.638 -3.852) 6.838 16.175 ( 0.524 0.799 2.929) 3.081 16.264 ( -8.574 -0.710 -0.903) 8.651 17.103 ( 18.848 1.312 5.562) 19.695 17.211 ( 17.934 -0.464 3.332) 18.246 17.447 ( -16.064 0.690 3.664) 16.491 17.645 ( -24.663 -1.545 -1.815) 24.778 21.400 ( 10.018 0.920 7.036) 12.277 21.511 ( -1.154 -0.253 3.003) 3.227 21.700 ( 8.971 -3.234 -2.747) 9.923 21.799 ( -0.980 -4.631 -8.769) 9.965 22.480 ( 0.418 -4.035 2.861) 4.964 22.536 ( -4.050 -3.932 0.391) 5.658 22.666 ( -2.211 -5.912 -2.567) 6.814 22.689 ( -4.517 -6.402 -3.170) 8.452 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.000 8.665 8.002) 11.795 2.056 ( 0.000 1.319 4.300) 4.498 2.095 ( 0.000 5.725 5.568) 7.986 2.326 ( 0.000 -0.181 -2.524) 2.531 2.461 ( 0.000 -8.754 -9.761) 13.112 2.535 ( 0.000 -14.294 -12.806) 19.191 3.089 ( 0.000 -5.740 2.796) 6.385 3.099 ( 0.000 -5.149 1.986) 5.519 3.817 ( 0.000 13.534 13.217) 18.917 3.927 ( 0.000 15.588 9.425) 18.216 3.969 ( 0.000 8.637 4.888) 9.924 4.135 ( 0.000 6.588 -1.674) 6.797 4.520 ( 0.000 14.525 1.237) 14.577 4.527 ( 0.000 8.240 1.839) 8.443 5.021 ( 0.000 -7.389 -0.434) 7.401 5.096 ( 0.000 -14.379 -3.833) 14.881 5.516 ( 0.000 8.888 2.144) 9.143 5.576 ( 0.000 6.112 0.101) 6.113 5.651 ( 0.000 11.844 4.054) 12.519 5.810 ( 0.000 -5.682 2.283) 6.124 5.837 ( 0.000 -4.371 1.751) 4.709 5.866 ( 0.000 1.990 -3.461) 3.993 6.109 ( 0.000 14.278 -2.282) 14.459 6.199 ( 0.000 10.406 -7.754) 12.977 6.477 ( 0.000 11.014 0.774) 11.041 6.547 ( 0.000 9.940 -3.510) 10.541 6.616 ( 0.000 2.435 12.511) 12.746 6.798 ( 0.000 -0.825 8.668) 8.707 7.019 ( 0.000 5.514 -1.294) 5.664 7.099 ( 0.000 -0.065 4.425) 4.425 7.429 ( 0.000 16.581 -1.453) 16.645 7.621 ( 0.000 4.659 -5.863) 7.489 7.870 ( 0.000 -3.815 7.855) 8.733 8.002 ( 0.000 -5.221 11.412) 12.550 8.320 ( 0.000 -0.792 -12.583) 12.608 8.402 ( 0.000 -5.920 -16.996) 17.998 8.526 ( 0.000 1.208 -15.427) 15.475 8.691 ( 0.000 -14.513 15.360) 21.132 8.844 ( 0.000 -13.626 -5.039) 14.528 9.026 ( 0.000 -13.036 -6.817) 14.711 9.296 ( 0.000 -8.847 -13.856) 16.440 9.297 ( 0.000 -4.736 -11.424) 12.367 9.448 ( 0.000 0.661 2.742) 2.820 9.691 ( 0.000 -9.008 -3.172) 9.550 10.739 ( 0.000 8.309 5.112) 9.756 10.827 ( 0.000 3.397 2.000) 3.942 10.867 ( 0.000 3.480 2.698) 4.403 10.879 ( 0.000 3.512 -1.235) 3.722 10.972 ( 0.000 3.643 -1.193) 3.833 11.126 ( 0.000 7.192 -6.056) 9.402 11.323 ( 0.000 -5.895 6.539) 8.804 11.494 ( 0.000 -2.735 -0.767) 2.840 11.567 ( 0.000 -2.563 1.743) 3.100 11.647 ( 0.000 -4.118 -1.801) 4.495 12.113 ( 0.000 -3.594 2.263) 4.248 12.115 ( 0.000 -2.964 3.087) 4.280 12.277 ( 0.000 1.269 3.286) 3.522 12.279 ( 0.000 1.649 2.187) 2.739 12.574 ( 0.000 2.437 3.238) 4.053 12.609 ( 0.000 1.330 3.009) 3.289 13.309 ( 0.000 14.031 7.770) 16.038 13.475 ( 0.000 12.665 8.498) 15.252 13.588 ( 0.000 8.258 -5.419) 9.878 13.739 ( 0.000 -2.368 -3.005) 3.826 13.823 ( 0.000 -2.370 0.061) 2.371 13.839 ( 0.000 -1.217 -1.139) 1.667 14.044 ( 0.000 3.996 1.354) 4.219 14.087 ( 0.000 2.175 0.022) 2.175 15.521 ( 0.000 -0.291 -1.817) 1.840 15.640 ( 0.000 -3.121 -5.026) 5.916 16.483 ( 0.000 11.913 13.135) 17.732 16.657 ( 0.000 0.610 2.357) 2.435 16.667 ( 0.000 0.047 1.632) 1.633 16.805 ( 0.000 -0.873 4.517) 4.600 17.937 ( 0.000 6.268 -8.875) 10.866 18.197 ( 0.000 -4.247 -14.028) 14.657 21.083 ( 0.000 1.937 13.094) 13.236 21.261 ( 0.000 -6.041 6.567) 8.924 21.459 ( 0.000 0.524 -2.332) 2.390 21.601 ( 0.000 -6.234 -11.877) 13.414 22.509 ( 0.000 -1.441 2.337) 2.745 22.552 ( 0.000 -2.829 -0.009) 2.829 22.705 ( 0.000 -1.810 -0.981) 2.058 22.742 ( 0.000 -4.242 -2.158) 4.759 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 2.942 4.882 6.233) 8.446 2.061 ( 0.501 1.285 3.917) 4.152 2.104 ( 2.489 6.202 5.665) 8.760 2.358 ( 3.061 -2.701 -2.873) 4.992 2.483 ( 2.290 -8.238 -7.994) 11.705 2.518 ( -1.026 -11.715 -12.371) 17.068 2.979 ( -11.091 -3.715 2.617) 11.986 2.996 ( -9.297 -5.139 1.592) 10.742 3.853 ( 3.381 13.493 12.484) 18.691 3.944 ( 1.454 14.651 9.091) 17.304 4.010 ( 3.551 8.824 4.605) 10.567 4.142 ( 0.360 7.014 -0.807) 7.070 4.536 ( 1.519 12.903 1.651) 13.097 4.543 ( 1.464 10.602 1.743) 10.844 5.046 ( 2.491 -8.279 -0.146) 8.647 5.120 ( 2.010 -14.203 -3.388) 14.739 5.492 ( -2.079 9.287 1.715) 9.670 5.549 ( -2.513 6.243 -0.493) 6.748 5.652 ( -0.113 7.660 3.901) 8.597 5.777 ( -4.090 -2.602 0.499) 4.873 5.825 ( 1.415 0.883 0.791) 1.846 5.890 ( 0.529 2.868 -2.115) 3.603 6.075 ( -2.148 9.548 0.928) 9.830 6.181 ( -2.523 6.603 -4.356) 8.303 6.477 ( 1.661 10.748 2.062) 11.069 6.559 ( 1.608 4.409 2.620) 5.375 6.689 ( 5.053 7.864 1.966) 9.552 6.855 ( 2.430 0.414 1.081) 2.691 6.987 ( -0.853 5.171 6.568) 8.402 7.071 ( -0.986 1.089 4.999) 5.210 7.377 ( -4.991 14.632 0.301) 15.463 7.519 ( -8.756 5.731 -3.314) 10.977 7.968 ( 7.689 -2.709 2.407) 8.500 8.053 ( 4.433 -4.337 6.456) 8.952 8.323 ( 0.422 -2.642 -10.861) 11.186 8.424 ( 2.391 -5.136 -15.690) 16.681 8.552 ( 2.005 0.563 -13.902) 14.057 8.650 ( -4.010 -12.917 13.374) 19.020 8.850 ( 0.967 -13.497 -5.474) 14.597 9.048 ( 1.167 -15.427 -4.583) 16.136 9.229 ( -2.835 -2.235 -12.374) 12.890 9.356 ( 2.001 -8.861 -11.932) 14.996 9.436 ( -0.375 -0.492 2.511) 2.586 9.660 ( -3.080 -9.144 -3.443) 10.245 10.750 ( 1.096 7.649 4.638) 9.012 10.820 ( -0.564 3.978 2.159) 4.561 10.857 ( -0.980 2.736 2.321) 3.719 10.872 ( -0.647 3.253 -0.989) 3.461 10.984 ( 1.388 4.214 -1.474) 4.675 11.110 ( -1.502 7.358 -5.345) 9.218 11.300 ( -2.033 -5.654 5.760) 8.323 11.443 ( -5.198 -4.682 -0.993) 7.066 11.614 ( 5.353 0.400 2.075) 5.755 11.692 ( 4.253 -2.707 -1.466) 5.250 12.076 ( -3.247 -1.515 2.605) 4.429 12.124 ( -2.894 -1.694 -0.035) 3.353 12.266 ( 1.685 -0.510 3.874) 4.255 12.287 ( 1.247 -0.465 2.407) 2.751 12.532 ( -4.073 1.408 4.135) 5.973 12.587 ( -2.407 -0.104 2.595) 3.541 13.310 ( 0.231 14.185 8.022) 16.298 13.419 ( -3.674 11.849 6.969) 14.229 13.642 ( 2.688 6.690 -2.279) 7.561 13.718 ( -2.068 -0.314 -2.252) 3.074 13.815 ( 3.464 -2.184 0.770) 4.167 13.912 ( 4.625 1.570 -3.487) 6.002 14.075 ( 1.903 2.731 1.699) 3.737 14.113 ( 1.752 2.363 0.380) 2.966 15.599 ( 8.094 1.261 -1.947) 8.420 15.713 ( 7.202 -1.697 -5.661) 9.316 16.365 ( -9.016 6.966 6.583) 13.159 16.495 ( -12.505 0.452 0.672) 12.531 16.825 ( 13.123 2.454 6.227) 14.731 16.942 ( 10.592 -0.998 4.710) 11.635 17.794 ( -13.867 4.898 -5.127) 15.574 18.014 ( -17.784 -3.917 -9.991) 20.771 21.208 ( 11.597 2.149 9.801) 15.336 21.371 ( 10.020 -4.798 4.322) 11.920 21.504 ( 4.326 0.129 -2.412) 4.954 21.639 ( 3.506 -5.892 -10.467) 12.512 22.471 ( -3.434 -1.154 2.624) 4.473 22.526 ( -2.444 -3.063 -0.316) 3.931 22.656 ( -4.993 -2.652 -1.020) 5.745 22.683 ( -5.623 -4.194 -1.881) 7.263 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 0.518 2.502 4.625) 5.284 2.053 ( -0.934 2.248 4.517) 5.131 2.240 ( 9.299 -1.146 -0.247) 9.372 2.373 ( -3.526 -9.482 -6.694) 12.131 2.540 ( 5.844 -5.939 -3.979) 9.233 2.582 ( 7.550 -2.822 -3.002) 8.602 2.734 ( -12.651 -2.410 1.105) 12.926 2.786 ( -11.684 -3.895 -0.784) 12.341 3.922 ( 3.207 13.701 10.938) 17.823 3.958 ( -0.443 14.212 9.593) 17.153 4.081 ( 3.554 8.242 2.980) 9.457 4.132 ( -1.599 7.673 0.961) 7.896 4.566 ( 1.159 12.388 2.084) 12.616 4.569 ( 0.833 12.688 1.945) 12.864 5.105 ( 3.216 -10.400 -0.151) 10.887 5.144 ( -0.292 -13.184 -1.676) 13.293 5.465 ( -0.051 8.911 -0.134) 8.912 5.495 ( -2.736 6.972 -1.358) 7.612 5.655 ( 0.928 3.103 3.632) 4.866 5.699 ( -3.623 0.354 2.411) 4.366 5.858 ( 1.899 7.938 -1.958) 8.394 5.886 ( -0.850 5.433 -2.121) 5.894 6.061 ( 0.996 2.767 3.189) 4.338 6.111 ( -3.887 1.951 1.448) 4.584 6.559 ( 5.789 9.634 1.539) 11.344 6.601 ( 2.014 5.298 2.009) 6.013 6.723 ( -0.867 3.530 0.060) 3.636 6.778 ( -6.848 1.958 2.216) 7.460 7.088 ( 8.769 7.132 2.175) 11.511 7.139 ( 7.909 4.401 6.511) 11.150 7.253 ( -7.722 11.580 1.702) 14.022 7.329 ( -10.697 6.074 0.565) 12.314 8.091 ( 4.407 0.236 -6.129) 7.553 8.123 ( 1.410 -0.070 -3.262) 3.554 8.364 ( 4.666 -9.820 -1.648) 10.996 8.453 ( -1.671 -10.013 -7.685) 12.732 8.572 ( -2.045 -4.081 2.678) 5.292 8.573 ( -0.325 -1.075 -8.789) 8.860 8.900 ( 4.609 -13.209 -6.816) 15.562 9.007 ( -5.371 -14.842 -6.503) 17.071 9.241 ( 3.853 -2.036 -6.600) 7.909 9.326 ( -4.162 -4.374 -4.742) 7.678 9.487 ( 4.789 -7.408 -4.231) 9.783 9.583 ( -4.868 -9.050 -4.256) 11.122 10.777 ( 1.606 6.161 3.674) 7.350 10.806 ( -1.222 4.960 2.767) 5.810 10.843 ( 0.066 2.356 1.439) 2.761 10.857 ( -0.955 2.818 -0.021) 2.976 11.024 ( 2.652 5.463 -2.653) 6.627 11.074 ( -2.318 7.109 -4.277) 8.614 11.275 ( 0.371 -5.182 3.819) 6.448 11.332 ( -5.316 -4.750 1.029) 7.203 11.750 ( 8.012 2.150 1.205) 8.383 11.796 ( 5.495 1.047 -0.597) 5.625 11.972 ( -6.328 -1.188 0.484) 6.457 12.005 ( -7.617 -0.734 -0.968) 7.714 12.325 ( 4.387 -0.936 4.467) 6.330 12.372 ( 5.021 -1.965 1.935) 5.729 12.442 ( -3.807 -1.701 5.015) 6.522 12.512 ( -5.448 -2.900 1.949) 6.472 13.325 ( 1.396 13.939 8.368) 16.318 13.361 ( -2.416 12.754 7.831) 15.160 13.669 ( 0.815 2.217 -0.780) 2.488 13.686 ( -1.136 0.606 -0.860) 1.548 13.925 ( 6.269 2.269 -0.920) 6.730 13.986 ( 1.450 3.768 -3.391) 5.273 14.088 ( 0.381 1.520 1.882) 2.449 14.119 ( -1.408 2.380 0.390) 2.793 15.807 ( 12.162 5.652 -2.511) 13.645 15.873 ( 7.278 4.126 -5.118) 9.808 16.190 ( -8.000 0.523 0.779) 8.054 16.236 ( -12.716 -1.837 -1.353) 12.919 17.133 ( 18.233 1.470 5.205) 19.018 17.194 ( 16.818 -1.191 4.187) 17.372 17.476 ( -17.899 2.218 1.008) 18.064 17.601 ( -23.637 -2.730 -2.136) 23.890 21.435 ( 9.926 2.538 3.960) 10.984 21.521 ( 1.849 1.181 1.148) 2.476 21.618 ( 7.571 -4.257 -2.948) 9.173 21.693 ( 0.544 -5.226 -6.738) 8.545 22.421 ( -0.348 -1.122 2.549) 2.807 22.471 ( -3.646 -1.956 0.388) 4.155 22.547 ( -3.708 -4.947 -1.018) 6.266 22.572 ( -4.908 -4.747 -1.918) 7.092 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 0.000 -0.837 1.297) 1.544 2.079 ( 0.000 0.837 1.297) 1.544 2.268 ( 0.000 -10.783 -5.829) 12.258 2.268 ( 0.000 10.783 -5.829) 12.258 2.341 ( 0.000 -2.347 -1.133) 2.606 2.341 ( 0.000 2.347 -1.133) 2.606 3.032 ( 0.000 -0.584 2.522) 2.589 3.032 ( 0.000 0.584 2.522) 2.589 4.008 ( 0.000 -4.254 8.670) 9.658 4.008 ( 0.000 4.254 8.670) 9.658 4.153 ( 0.000 -5.478 4.540) 7.115 4.153 ( 0.000 5.478 4.540) 7.115 4.731 ( 0.000 -4.277 1.113) 4.419 4.731 ( 0.000 4.277 1.113) 4.419 4.852 ( 0.000 -1.687 -1.269) 2.111 4.852 ( 0.000 1.687 -1.269) 2.111 5.667 ( 0.000 -5.982 1.207) 6.102 5.667 ( 0.000 5.982 1.207) 6.102 5.709 ( 0.000 -5.221 1.389) 5.402 5.709 ( 0.000 5.221 1.389) 5.402 5.848 ( 0.000 -4.447 1.354) 4.649 5.848 ( 0.000 4.447 1.354) 4.649 6.303 ( 0.000 -2.206 -4.677) 5.171 6.303 ( 0.000 2.206 -4.677) 5.171 6.631 ( 0.000 -2.527 -1.730) 3.062 6.631 ( 0.000 2.527 -1.730) 3.062 6.722 ( 0.000 -6.114 10.072) 11.783 6.722 ( 0.000 6.114 10.072) 11.783 7.078 ( 0.000 -1.714 1.827) 2.505 7.078 ( 0.000 1.714 1.827) 2.505 7.680 ( 0.000 -2.229 -4.643) 5.150 7.680 ( 0.000 2.229 -4.643) 5.150 7.875 ( 0.000 -6.918 12.124) 13.958 7.875 ( 0.000 6.918 12.124) 13.958 8.328 ( 0.000 -1.199 -16.438) 16.482 8.328 ( 0.000 1.199 -16.438) 16.482 8.589 ( 0.000 -7.106 8.495) 11.075 8.589 ( 0.000 7.106 8.495) 11.075 8.700 ( 0.000 -14.426 -14.306) 20.316 8.700 ( 0.000 14.426 -14.306) 20.316 9.229 ( 0.000 -1.183 -13.224) 13.277 9.229 ( 0.000 1.183 -13.224) 13.277 9.516 ( 0.000 -6.065 -2.576) 6.589 9.516 ( 0.000 6.065 -2.576) 6.589 10.851 ( 0.000 -1.766 1.239) 2.157 10.851 ( 0.000 1.766 1.239) 2.157 10.900 ( 0.000 -0.247 0.871) 0.905 10.900 ( 0.000 0.247 0.871) 0.905 11.098 ( 0.000 -7.792 6.391) 10.078 11.098 ( 0.000 7.792 6.391) 10.078 11.368 ( 0.000 -7.584 -3.994) 8.572 11.368 ( 0.000 7.584 -3.994) 8.572 11.582 ( 0.000 -2.241 0.847) 2.396 11.582 ( 0.000 2.241 0.847) 2.396 12.079 ( 0.000 -0.273 2.910) 2.923 12.079 ( 0.000 0.273 2.910) 2.923 12.295 ( 0.000 -0.152 2.924) 2.928 12.295 ( 0.000 0.152 2.924) 2.928 12.613 ( 0.000 -0.952 2.741) 2.902 12.613 ( 0.000 0.952 2.741) 2.902 13.572 ( 0.000 -10.695 4.637) 11.657 13.572 ( 0.000 10.695 4.637) 11.657 13.689 ( 0.000 -3.193 -0.044) 3.193 13.689 ( 0.000 3.193 -0.044) 3.193 13.782 ( 0.000 -1.437 1.918) 2.397 13.782 ( 0.000 1.437 1.918) 2.397 14.100 ( 0.000 -1.125 1.521) 1.892 14.100 ( 0.000 1.125 1.521) 1.892 15.561 ( 0.000 -3.679 -5.572) 6.677 15.561 ( 0.000 3.679 -5.572) 6.677 16.662 ( 0.000 -0.969 2.209) 2.413 16.662 ( 0.000 0.969 2.209) 2.413 16.707 ( 0.000 -7.683 11.108) 13.507 16.707 ( 0.000 7.683 11.108) 13.506 18.081 ( 0.000 -6.757 -14.146) 15.677 18.081 ( 0.000 6.757 -14.146) 15.677 21.149 ( 0.000 -4.440 9.382) 10.380 21.149 ( 0.000 4.440 9.382) 10.380 21.499 ( 0.000 -3.431 -6.707) 7.534 21.499 ( 0.000 3.431 -6.707) 7.534 22.507 ( 0.000 -1.196 1.000) 1.559 22.507 ( 0.000 1.196 1.000) 1.559 22.691 ( 0.000 -0.720 -1.539) 1.699 22.691 ( 0.000 0.720 -1.539) 1.699 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 1.480 -0.895 0.019) 1.730 2.094 ( 1.480 0.895 0.019) 1.730 2.232 ( -2.764 -7.641 -5.327) 9.716 2.232 ( -2.764 7.641 -5.327) 9.716 2.394 ( 4.859 -1.778 -0.658) 5.216 2.394 ( 4.859 1.778 -0.658) 5.216 2.937 ( -9.108 -0.295 2.284) 9.395 2.937 ( -9.108 0.295 2.284) 9.395 4.044 ( 3.410 -4.135 8.109) 9.720 4.044 ( 3.410 4.135 8.109) 9.720 4.165 ( 0.847 -5.079 4.929) 7.127 4.165 ( 0.847 5.079 4.929) 7.127 4.761 ( 2.914 -4.512 1.250) 5.515 4.761 ( 2.914 4.512 1.250) 5.515 4.863 ( 0.941 -3.315 -0.762) 3.529 4.863 ( 0.941 3.315 -0.762) 3.529 5.639 ( -2.404 -5.419 1.629) 6.148 5.639 ( -2.404 5.419 1.629) 6.148 5.677 ( -2.658 -5.830 -0.014) 6.407 5.677 ( -2.658 5.830 -0.014) 6.407 5.896 ( 4.109 -3.496 2.155) 5.810 5.896 ( 4.109 3.496 2.155) 5.810 6.237 ( -6.223 -3.078 -2.227) 7.291 6.237 ( -6.223 3.078 -2.227) 7.291 6.601 ( 0.574 -0.443 3.445) 3.521 6.601 ( 0.574 0.443 3.445) 3.521 6.817 ( 3.437 -3.994 -0.198) 5.273 6.817 ( 3.437 3.994 -0.198) 5.273 7.065 ( 1.513 -2.172 5.779) 6.357 7.065 ( 1.513 2.172 5.779) 6.357 7.592 ( -7.993 -2.491 -1.799) 8.564 7.592 ( -7.993 2.491 -1.799) 8.564 7.962 ( 7.694 -3.689 7.262) 11.204 7.962 ( 7.694 3.689 7.262) 11.204 8.327 ( -1.033 -2.925 -13.233) 13.592 8.327 ( -1.033 2.925 -13.233) 13.592 8.590 ( 0.919 -7.825 2.434) 8.247 8.590 ( 0.919 7.825 2.434) 8.247 8.710 ( 0.408 -13.463 -11.062) 17.429 8.710 ( 0.408 13.463 -11.062) 17.429 9.245 ( 1.752 -3.113 -11.889) 12.414 9.245 ( 1.752 3.113 -11.889) 12.414 9.479 ( -3.615 -6.056 -3.181) 7.738 9.479 ( -3.615 6.056 -3.181) 7.738 10.851 ( 0.044 -1.499 1.406) 2.056 10.851 ( 0.044 1.499 1.406) 2.056 10.888 ( -1.051 -0.524 1.066) 1.586 10.888 ( -1.051 0.524 1.066) 1.586 11.109 ( 1.168 -6.909 5.066) 8.646 11.109 ( 1.168 6.909 5.066) 8.646 11.323 ( -4.294 -6.609 -2.973) 8.423 11.323 ( -4.294 6.609 -2.973) 8.423 11.643 ( 6.064 -1.986 0.524) 6.402 11.643 ( 6.064 1.986 0.524) 6.402 12.080 ( -1.398 -1.677 2.100) 3.030 12.080 ( -1.398 1.677 2.100) 3.030 12.276 ( -0.540 -0.781 3.160) 3.299 12.276 ( -0.540 0.781 3.160) 3.299 12.567 ( -4.580 -1.631 2.823) 5.622 12.567 ( -4.580 1.631 2.823) 5.622 13.571 ( -0.081 -10.152 4.353) 11.046 13.571 ( -0.081 10.152 4.353) 11.046 13.632 ( -3.117 -7.535 2.016) 8.400 13.632 ( -3.117 7.535 2.016) 8.400 13.878 ( 7.197 -5.053 0.547) 8.811 13.878 ( 7.197 5.053 0.547) 8.811 14.122 ( 1.268 -1.414 1.765) 2.593 14.122 ( 1.268 1.414 1.765) 2.593 15.653 ( 9.434 -3.464 -5.652) 11.530 15.653 ( 9.434 3.464 -5.652) 11.530 16.472 ( -12.446 -3.000 3.392) 13.244 16.472 ( -12.446 3.000 3.392) 13.244 16.890 ( 11.944 -3.416 7.482) 14.503 16.890 ( 11.944 3.416 7.482) 14.503 17.911 ( -16.382 -5.774 -9.765) 19.927 17.911 ( -16.382 5.774 -9.765) 19.927 21.274 ( 11.630 -4.129 6.349) 13.878 21.274 ( 11.630 4.129 6.349) 13.878 21.540 ( 3.810 -3.372 -5.879) 7.775 21.540 ( 3.810 3.372 -5.879) 7.775 22.476 ( -2.835 -1.550 0.861) 3.343 22.476 ( -2.835 1.550 0.861) 3.343 22.633 ( -5.808 -0.594 -1.239) 5.968 22.633 ( -5.808 0.594 -1.239) 5.968 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 2.290 -3.633 -2.672) 5.059 2.131 ( 2.290 3.633 -2.672) 5.059 2.179 ( -2.715 -5.918 -4.604) 7.974 2.179 ( -2.715 5.918 -4.604) 7.974 2.525 ( 9.015 -2.467 0.959) 9.395 2.525 ( 9.015 2.467 0.959) 9.395 2.728 ( -11.767 -1.498 1.873) 12.009 2.728 ( -11.767 1.498 1.873) 12.009 4.116 ( 3.607 -4.071 6.824) 8.727 4.116 ( 3.607 4.071 6.824) 8.727 4.165 ( -1.247 -4.403 5.693) 7.304 4.165 ( -1.247 4.403 5.693) 7.304 4.826 ( 3.420 -4.953 1.266) 6.151 4.826 ( 3.420 4.953 1.266) 6.151 4.869 ( -0.809 -4.851 0.443) 4.938 4.869 ( -0.809 4.852 0.443) 4.938 5.605 ( -0.539 -4.382 0.916) 4.509 5.605 ( -0.539 4.382 0.916) 4.509 5.625 ( -2.344 -4.548 -0.015) 5.116 5.625 ( -2.344 4.548 -0.015) 5.116 5.988 ( 5.489 -1.930 2.303) 6.258 5.988 ( 5.489 1.930 2.303) 6.258 6.105 ( -6.874 -2.593 1.083) 7.426 6.105 ( -6.874 2.593 1.083) 7.426 6.660 ( 5.070 -0.440 2.316) 5.591 6.660 ( 5.070 0.440 2.316) 5.591 6.771 ( -5.858 -2.103 -0.197) 6.227 6.771 ( -5.858 2.103 -0.197) 6.227 7.199 ( 10.546 -0.675 4.314) 11.414 7.199 ( 10.546 0.675 4.314) 11.414 7.408 ( -10.830 -1.515 0.912) 10.973 7.408 ( -10.830 1.515 0.912) 10.973 8.123 ( 8.456 -1.343 1.218) 8.648 8.123 ( 8.456 1.343 1.218) 8.648 8.262 ( -5.709 -3.155 -5.369) 8.448 8.262 ( -5.709 3.155 -5.369) 8.448 8.636 ( 3.451 -9.581 -5.809) 11.724 8.636 ( 3.451 9.581 -5.809) 11.724 8.695 ( -2.166 -11.873 -8.729) 14.895 8.695 ( -2.166 11.873 -8.729) 14.895 9.300 ( 4.093 -5.426 -8.415) 10.816 9.300 ( 4.093 5.426 -8.415) 10.816 9.392 ( -5.142 -6.100 -5.084) 9.460 9.392 ( -5.142 6.100 -5.084) 9.460 10.855 ( 0.463 -0.997 1.525) 1.880 10.855 ( 0.463 0.997 1.525) 1.880 10.869 ( -0.896 -0.952 1.318) 1.857 10.869 ( -0.896 0.952 1.318) 1.857 11.148 ( 3.115 -5.377 2.206) 6.594 11.148 ( 3.115 5.377 2.206) 6.594 11.228 ( -5.082 -5.198 -0.733) 7.307 11.228 ( -5.082 5.198 -0.733) 7.307 11.795 ( 9.437 -1.569 0.388) 9.574 11.795 ( 9.437 1.569 0.388) 9.574 11.977 ( -8.729 -1.601 0.793) 8.910 11.977 ( -8.729 1.601 0.793) 8.910 12.329 ( 5.655 -1.411 3.410) 6.753 12.329 ( 5.655 1.411 3.410) 6.753 12.454 ( -6.805 -2.215 3.120) 7.807 12.454 ( -6.805 2.215 3.120) 7.807 13.574 ( 0.560 -9.049 3.843) 9.847 13.574 ( 0.560 9.049 3.843) 9.847 13.592 ( -1.317 -8.220 3.108) 8.886 13.592 ( -1.317 8.220 3.108) 8.886 14.016 ( 6.725 -3.649 0.979) 7.714 14.016 ( 6.725 3.649 0.979) 7.714 14.111 ( -2.867 -2.326 1.667) 4.051 14.111 ( -2.867 2.326 1.667) 4.051 15.898 ( 15.475 -2.112 -4.664) 16.300 15.898 ( 15.475 2.112 -4.664) 16.300 16.202 ( -15.645 -1.053 -1.044) 15.715 16.202 ( -15.645 1.053 -1.044) 15.715 17.164 ( 17.212 -1.530 4.904) 17.962 17.164 ( 17.212 1.530 4.904) 17.962 17.536 ( -21.100 -3.253 -1.379) 21.394 17.536 ( -21.100 3.253 -1.379) 21.394 21.504 ( 10.113 -3.675 0.843) 10.793 21.504 ( 10.113 3.675 0.843) 10.793 21.597 ( 0.387 -3.382 -3.476) 4.865 21.597 ( 0.387 3.382 -3.476) 4.865 22.435 ( -0.110 -2.017 0.463) 2.073 22.435 ( -0.110 2.017 0.463) 2.073 22.502 ( -6.582 -1.411 -0.378) 6.742 22.502 ( -6.582 1.411 -0.378) 6.742 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.000 0.000 -15.645) 15.645 1.920 ( 0.000 0.000 15.645) 15.645 2.601 ( 0.000 0.000 -15.989) 15.989 2.601 ( 0.000 0.000 15.989) 15.989 2.811 ( 0.000 0.000 -17.393) 17.393 2.811 ( 0.000 0.000 17.393) 17.393 3.130 ( 0.000 0.000 -15.807) 15.807 3.130 ( 0.000 0.000 15.807) 15.807 3.271 ( 0.000 0.000 -7.243) 7.243 3.271 ( 0.000 0.000 7.243) 7.243 3.552 ( 0.000 0.000 -4.863) 4.863 3.552 ( 0.000 0.000 4.863) 4.863 3.839 ( 0.000 0.000 -10.307) 10.307 3.839 ( 0.000 0.000 10.307) 10.307 4.748 ( 0.000 0.000 -12.520) 12.520 4.748 ( 0.000 0.000 12.520) 12.520 5.187 ( 0.000 0.000 -17.525) 17.525 5.187 ( 0.000 0.000 17.525) 17.525 5.543 ( 0.000 0.000 -2.619) 2.619 5.543 ( 0.000 0.000 2.619) 2.619 5.754 ( 0.000 0.000 -3.616) 3.616 5.754 ( 0.000 0.000 3.616) 3.616 5.901 ( 0.000 0.000 -9.900) 9.900 5.901 ( 0.000 0.000 9.900) 9.900 6.279 ( 0.000 0.000 -1.641) 1.641 6.279 ( 0.000 0.000 1.641) 1.641 6.327 ( 0.000 0.000 -0.282) 0.282 6.327 ( 0.000 0.000 0.282) 0.282 7.029 ( 0.000 0.000 -9.314) 9.314 7.029 ( 0.000 0.000 9.314) 9.314 7.519 ( 0.000 0.000 -14.915) 14.915 7.519 ( 0.000 0.000 14.915) 14.915 8.072 ( 0.000 0.000 -2.562) 2.562 8.072 ( 0.000 0.000 2.562) 2.562 8.496 ( 0.000 0.000 -5.620) 5.620 8.496 ( 0.000 0.000 5.620) 5.620 9.048 ( 0.000 0.000 -16.767) 16.767 9.048 ( 0.000 0.000 16.767) 16.767 9.179 ( 0.000 0.000 -2.511) 2.511 9.179 ( 0.000 0.000 2.511) 2.511 9.487 ( 0.000 0.000 -8.933) 8.933 9.487 ( 0.000 0.000 8.933) 8.933 10.122 ( 0.000 0.000 -9.327) 9.327 10.122 ( 0.000 0.000 9.327) 9.327 10.242 ( 0.000 0.000 -0.995) 0.995 10.242 ( 0.000 0.000 0.995) 0.995 10.530 ( 0.000 0.000 -3.655) 3.655 10.530 ( 0.000 0.000 3.655) 3.655 10.663 ( 0.000 0.000 -4.277) 4.277 10.663 ( 0.000 0.000 4.277) 4.277 11.657 ( 0.000 0.000 -5.263) 5.263 11.657 ( 0.000 0.000 5.263) 5.263 11.913 ( 0.000 0.000 -2.473) 2.473 11.913 ( 0.000 0.000 2.473) 2.473 12.244 ( 0.000 0.000 -1.418) 1.418 12.244 ( 0.000 0.000 1.418) 1.418 12.309 ( 0.000 0.000 -0.080) 0.080 12.309 ( 0.000 0.000 0.080) 0.080 12.666 ( 0.000 0.000 -10.355) 10.355 12.666 ( 0.000 0.000 10.355) 10.355 12.919 ( 0.000 0.000 -2.613) 2.613 12.919 ( 0.000 0.000 2.613) 2.613 12.984 ( 0.000 0.000 -9.206) 9.206 12.984 ( 0.000 0.000 9.206) 9.206 13.783 ( 0.000 0.000 -0.357) 0.357 13.783 ( 0.000 0.000 0.357) 0.357 13.937 ( 0.000 0.000 -3.229) 3.229 13.937 ( 0.000 0.000 3.229) 3.229 15.688 ( 0.000 0.000 -0.975) 0.975 15.688 ( 0.000 0.000 0.975) 0.975 16.229 ( 0.000 0.000 -16.149) 16.149 16.229 ( 0.000 0.000 16.149) 16.149 16.674 ( 0.000 0.000 -1.343) 1.343 16.674 ( 0.000 0.000 1.343) 1.343 18.042 ( 0.000 0.000 -13.723) 13.723 18.042 ( 0.000 0.000 13.723) 13.723 21.491 ( 0.000 0.000 -19.600) 19.600 21.491 ( 0.000 0.000 19.600) 19.600 21.543 ( 0.000 0.000 -2.321) 2.321 21.543 ( 0.000 0.000 2.321) 2.321 22.682 ( 0.000 0.000 -0.451) 0.451 22.682 ( 0.000 0.000 0.451) 0.451 22.933 ( 0.000 0.000 -6.210) 6.210 22.933 ( 0.000 0.000 6.210) 6.210 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 15.495 0.000 -14.575) 21.273 2.078 ( 15.495 0.000 14.575) 21.273 2.534 ( -4.648 0.000 -8.293) 9.507 2.534 ( -4.648 0.000 8.293) 9.507 2.900 ( 6.852 0.000 -10.373) 12.432 2.900 ( 6.852 0.000 10.373) 12.432 3.089 ( -4.810 0.000 -7.309) 8.750 3.089 ( -4.810 0.000 7.309) 8.750 3.151 ( -10.177 0.000 -8.401) 13.196 3.151 ( -10.177 0.000 8.401) 13.196 3.596 ( 3.203 0.000 -6.057) 6.852 3.596 ( 3.203 0.000 6.057) 6.852 3.812 ( -2.607 0.000 -8.960) 9.332 3.812 ( -2.607 0.000 8.960) 9.332 4.751 ( 0.318 0.000 -10.206) 10.211 4.751 ( 0.318 0.000 10.206) 10.211 5.197 ( 1.102 0.000 -15.716) 15.754 5.197 ( 1.102 0.000 15.716) 15.754 5.469 ( -5.538 0.000 -6.337) 8.416 5.469 ( -5.538 0.000 6.337) 8.416 5.853 ( 8.005 0.000 -3.888) 8.899 5.853 ( 8.005 0.000 3.888) 8.899 5.916 ( 1.190 0.000 -7.922) 8.011 5.916 ( 1.190 0.000 7.922) 8.011 6.247 ( -3.280 0.000 -1.850) 3.766 6.247 ( -3.280 0.000 1.850) 3.766 6.312 ( -0.922 0.000 -1.725) 1.956 6.312 ( -0.922 0.000 1.725) 1.956 7.083 ( 5.102 0.000 -7.172) 8.802 7.083 ( 5.102 0.000 7.172) 8.802 7.464 ( -5.365 0.000 -13.174) 14.225 7.464 ( -5.365 0.000 13.174) 14.225 8.084 ( 1.085 0.000 -2.268) 2.515 8.084 ( 1.085 0.000 2.268) 2.515 8.499 ( 0.342 0.000 -4.858) 4.870 8.499 ( 0.342 0.000 4.858) 4.870 9.056 ( 0.872 0.000 -16.225) 16.248 9.056 ( 0.872 0.000 16.225) 16.248 9.164 ( -1.467 0.000 -6.948) 7.101 9.164 ( -1.467 0.000 6.948) 7.101 9.522 ( 3.207 0.000 -7.687) 8.329 9.522 ( 3.207 0.000 7.687) 8.329 10.130 ( 0.665 0.000 -7.584) 7.614 10.130 ( 0.665 0.000 7.584) 7.614 10.256 ( 1.330 0.000 -2.068) 2.459 10.256 ( 1.330 0.000 2.068) 2.459 10.536 ( 0.643 0.000 -4.152) 4.202 10.536 ( 0.643 0.000 4.153) 4.202 10.646 ( -1.658 0.000 -4.194) 4.510 10.646 ( -1.658 0.000 4.194) 4.510 11.645 ( -0.991 0.000 -4.177) 4.292 11.645 ( -0.991 0.000 4.177) 4.292 11.878 ( -3.196 0.000 -2.169) 3.863 11.878 ( -3.196 0.000 2.169) 3.863 12.188 ( -5.144 0.000 -2.478) 5.709 12.188 ( -5.144 0.000 2.478) 5.709 12.334 ( 2.268 0.000 -0.476) 2.318 12.334 ( 2.268 0.000 0.476) 2.318 12.654 ( -1.143 0.000 -8.748) 8.822 12.654 ( -1.143 0.000 8.748) 8.822 12.922 ( 0.305 0.000 -2.371) 2.390 12.922 ( 0.305 0.000 2.371) 2.390 12.984 ( -0.051 0.000 -7.427) 7.427 12.984 ( -0.051 0.000 7.427) 7.427 13.789 ( 0.844 0.000 -2.706) 2.835 13.789 ( 0.844 0.000 2.706) 2.835 13.957 ( 1.488 0.000 -3.179) 3.510 13.957 ( 1.488 0.000 3.179) 3.510 15.640 ( -3.843 0.000 -4.059) 5.590 15.640 ( -3.843 0.000 4.059) 5.590 16.234 ( 0.100 0.000 -10.507) 10.507 16.234 ( 0.100 0.000 10.507) 10.507 16.824 ( 14.745 0.000 -2.813) 15.011 16.824 ( 14.745 0.000 2.813) 15.011 17.913 ( -12.942 0.000 -11.554) 17.349 17.913 ( -12.942 0.000 11.554) 17.349 21.505 ( 1.999 0.000 -11.856) 12.023 21.505 ( 1.999 0.000 11.856) 12.023 21.633 ( 7.606 0.000 -6.159) 9.787 21.633 ( 7.606 0.000 6.159) 9.787 22.661 ( -1.804 0.000 -1.671) 2.459 22.661 ( -1.804 0.000 1.671) 2.459 22.887 ( -4.462 0.000 -4.980) 6.687 22.887 ( -4.462 0.000 4.980) 6.687 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 21.123 0.000 -12.833) 24.715 2.443 ( 21.123 0.000 12.833) 24.715 2.468 ( -1.904 0.000 -2.465) 3.115 2.468 ( -1.904 0.000 2.465) 3.115 2.837 ( -18.463 0.000 -11.985) 22.011 2.837 ( -18.463 0.000 11.985) 22.011 3.009 ( 3.544 0.000 -3.936) 5.296 3.009 ( 3.544 0.000 3.936) 5.296 3.055 ( -1.940 0.000 -5.306) 5.649 3.055 ( -1.940 0.000 5.306) 5.649 3.641 ( 1.308 0.000 -2.422) 2.752 3.641 ( 1.308 0.000 2.422) 2.752 3.762 ( -1.902 0.000 -3.956) 4.390 3.762 ( -1.902 0.000 3.956) 4.390 4.757 ( 0.220 0.000 -3.946) 3.952 4.757 ( 0.220 0.000 3.946) 3.952 5.225 ( 1.461 0.000 -8.490) 8.615 5.225 ( 1.461 0.000 8.490) 8.615 5.378 ( -3.252 0.000 -5.189) 6.123 5.378 ( -3.252 0.000 5.189) 6.123 5.931 ( 0.271 0.000 -2.842) 2.855 5.931 ( 0.270 0.000 2.842) 2.855 6.010 ( 7.878 0.000 -2.973) 8.421 6.010 ( 7.878 0.000 2.973) 8.421 6.157 ( -5.920 0.000 -2.268) 6.340 6.157 ( -5.920 0.000 2.268) 6.340 6.307 ( 0.229 0.000 -0.884) 0.913 6.307 ( 0.229 0.000 0.884) 0.913 7.198 ( 6.520 0.000 -5.711) 8.667 7.198 ( 6.520 0.000 5.711) 8.667 7.340 ( -6.946 0.000 -9.356) 11.652 7.340 ( -6.946 0.000 9.356) 11.652 8.102 ( 0.579 0.000 -1.049) 1.198 8.102 ( 0.579 0.000 1.049) 1.198 8.506 ( 0.210 0.000 -2.009) 2.020 8.506 ( 0.210 0.000 2.009) 2.020 9.079 ( 1.346 0.000 -12.236) 12.310 9.079 ( 1.346 0.000 12.236) 12.310 9.130 ( -1.707 0.000 -9.246) 9.402 9.130 ( -1.707 0.000 9.246) 9.402 9.581 ( 2.097 0.000 -3.242) 3.861 9.581 ( 2.097 0.000 3.242) 3.861 10.142 ( 0.453 0.000 -2.921) 2.955 10.142 ( 0.453 0.000 2.921) 2.955 10.281 ( 0.876 0.000 -1.361) 1.619 10.281 ( 0.876 0.000 1.361) 1.619 10.555 ( 1.227 0.000 -3.799) 3.992 10.555 ( 1.227 0.000 3.799) 3.992 10.608 ( -1.917 0.000 -3.462) 3.957 10.608 ( -1.917 0.000 3.462) 3.957 11.628 ( -0.565 0.000 -1.552) 1.652 11.628 ( -0.565 0.000 1.552) 1.652 11.821 ( -1.997 0.000 -0.997) 2.232 11.821 ( -1.997 0.000 0.997) 2.232 12.096 ( -3.243 0.000 -1.484) 3.567 12.096 ( -3.243 0.000 1.484) 3.567 12.376 ( 1.572 0.000 -0.606) 1.685 12.376 ( 1.572 0.000 0.606) 1.685 12.631 ( -0.923 0.000 -3.717) 3.830 12.631 ( -0.923 0.000 3.717) 3.830 12.928 ( 0.259 0.000 -1.013) 1.046 12.928 ( 0.259 0.000 1.013) 1.046 12.983 ( -0.030 0.000 -2.823) 2.823 12.983 ( -0.030 0.000 2.823) 2.823 13.811 ( 0.941 0.000 -1.833) 2.060 13.811 ( 0.941 0.000 1.833) 2.060 13.975 ( 0.351 0.000 -1.737) 1.772 13.975 ( 0.351 0.000 1.737) 1.772 15.582 ( -1.747 0.000 -2.037) 2.683 15.582 ( -1.747 0.000 2.037) 2.683 16.231 ( -0.265 0.000 -3.129) 3.140 16.231 ( -0.265 0.000 3.129) 3.140 17.180 ( 21.256 0.000 -4.532) 21.734 17.180 ( 21.256 0.000 4.532) 21.734 17.587 ( -20.326 0.000 -7.106) 21.533 17.587 ( -20.326 0.000 7.106) 21.533 21.547 ( 1.669 0.000 -4.285) 4.599 21.547 ( 1.669 0.000 4.286) 4.599 21.767 ( 4.746 0.000 -2.997) 5.614 21.767 ( 4.746 0.000 2.997) 5.614 22.634 ( -0.651 0.000 -1.364) 1.511 22.634 ( -0.651 0.000 1.364) 1.511 22.795 ( -3.805 0.000 -1.945) 4.273 22.795 ( -3.805 0.000 1.945) 4.273 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.000 1.630 -13.317) 13.416 1.928 ( 0.000 1.630 13.317) 13.416 2.560 ( 0.000 -9.408 -21.715) 23.666 2.560 ( 0.000 -9.408 21.715) 23.666 2.677 ( 0.000 -4.179 -13.051) 13.704 2.677 ( 0.000 -4.179 13.051) 13.704 3.297 ( 0.000 4.467 -0.606) 4.508 3.297 ( 0.000 4.467 0.606) 4.508 3.390 ( 0.000 13.903 -15.520) 20.837 3.390 ( 0.000 13.903 15.520) 20.837 3.479 ( 0.000 0.845 -6.547) 6.601 3.479 ( 0.000 0.845 6.547) 6.601 4.016 ( 0.000 12.724 -8.470) 15.285 4.016 ( 0.000 12.724 8.470) 15.285 4.884 ( 0.000 11.923 -11.868) 16.823 4.884 ( 0.000 11.923 11.868) 16.823 5.261 ( 0.000 6.551 -14.769) 16.157 5.261 ( 0.000 6.551 14.769) 16.157 5.579 ( 0.000 2.366 -0.769) 2.488 5.579 ( 0.000 2.366 0.769) 2.488 5.768 ( 0.000 -2.048 -4.935) 5.343 5.768 ( 0.000 -2.048 4.935) 5.343 5.860 ( 0.000 1.952 -6.237) 6.536 5.860 ( 0.000 1.952 6.237) 6.536 6.269 ( 0.000 -1.410 -0.541) 1.510 6.269 ( 0.000 -1.410 0.541) 1.510 6.453 ( 0.000 11.440 -3.232) 11.888 6.453 ( 0.000 11.440 3.232) 11.888 7.016 ( 0.000 -0.700 -9.602) 9.627 7.016 ( 0.000 -0.700 9.602) 9.627 7.453 ( 0.000 -5.273 -15.406) 16.284 7.453 ( 0.000 -5.273 15.406) 16.284 8.061 ( 0.000 -0.844 -3.064) 3.179 8.061 ( 0.000 -0.844 3.064) 3.179 8.448 ( 0.000 -4.369 -4.454) 6.239 8.448 ( 0.000 -4.369 4.454) 6.239 9.036 ( 0.000 -8.541 -9.508) 12.781 9.036 ( 0.000 -8.541 9.508) 12.781 9.162 ( 0.000 3.837 -11.191) 11.830 9.162 ( 0.000 3.837 11.191) 11.830 9.458 ( 0.000 -2.521 -2.971) 3.897 9.458 ( 0.000 -2.521 2.971) 3.897 9.919 ( 0.000 -12.704 -4.641) 13.525 9.919 ( 0.000 -12.704 4.641) 13.525 10.393 ( 0.000 10.046 -0.654) 10.068 10.393 ( 0.000 10.046 0.655) 10.068 10.650 ( 0.000 8.491 -4.044) 9.405 10.650 ( 0.000 8.491 4.044) 9.405 10.732 ( 0.000 5.689 -4.715) 7.388 10.732 ( 0.000 5.689 4.715) 7.388 11.617 ( 0.000 -3.394 -3.905) 5.174 11.617 ( 0.000 -3.394 3.905) 5.174 11.846 ( 0.000 -5.898 -1.233) 6.026 11.846 ( 0.000 -5.898 1.233) 6.026 12.222 ( 0.000 -1.276 -1.024) 1.636 12.222 ( 0.000 -1.276 1.024) 1.636 12.309 ( 0.000 -0.546 -0.482) 0.728 12.309 ( 0.000 -0.546 0.482) 0.728 12.640 ( 0.000 -3.700 -3.366) 5.002 12.640 ( 0.000 -3.700 3.366) 5.002 12.927 ( 0.000 8.354 -6.083) 10.334 12.927 ( 0.000 8.354 6.083) 10.334 13.166 ( 0.000 10.835 -7.793) 13.346 13.166 ( 0.000 10.835 7.793) 13.346 13.838 ( 0.000 4.711 -0.376) 4.726 13.838 ( 0.000 4.711 0.376) 4.726 13.927 ( 0.000 -0.906 -3.212) 3.337 13.927 ( 0.000 -0.906 3.212) 3.337 15.672 ( 0.000 -1.604 -2.068) 2.617 15.672 ( 0.000 -1.604 2.068) 2.617 16.310 ( 0.000 7.456 -16.031) 17.680 16.310 ( 0.000 7.456 16.031) 17.680 16.677 ( 0.000 0.220 -1.344) 1.362 16.677 ( 0.000 0.220 1.344) 1.362 18.032 ( 0.000 -0.970 -13.666) 13.700 18.032 ( 0.000 -0.970 13.666) 13.700 21.468 ( 0.000 -2.246 -20.284) 20.408 21.468 ( 0.000 -2.246 20.284) 20.408 21.516 ( 0.000 -2.382 -0.060) 2.383 21.516 ( 0.000 -2.382 0.060) 2.383 22.659 ( 0.000 -2.076 -0.774) 2.216 22.659 ( 0.000 -2.076 0.774) 2.216 22.889 ( 0.000 -3.945 -5.194) 6.522 22.889 ( 0.000 -3.945 5.194) 6.522 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 13.746 0.092 -11.905) 18.185 2.068 ( 13.746 0.092 11.905) 18.185 2.530 ( -2.275 -5.076 -15.002) 16.000 2.530 ( -2.275 -5.076 15.002) 16.000 2.684 ( 0.189 -9.180 -7.238) 11.691 2.684 ( 0.189 -9.180 7.238) 11.691 3.160 ( -12.953 1.163 -7.088) 14.812 3.160 ( -12.953 1.163 7.088) 14.812 3.394 ( 1.928 16.535 -11.308) 20.125 3.394 ( 1.928 16.535 11.308) 20.125 3.528 ( 2.476 2.221 -3.769) 5.027 3.528 ( 2.476 2.221 3.769) 5.027 4.012 ( -0.445 13.537 -7.091) 15.288 4.012 ( -0.445 13.537 7.091) 15.288 4.889 ( 0.427 12.174 -9.807) 15.638 4.889 ( 0.427 12.174 9.807) 15.638 5.268 ( 0.716 6.085 -13.401) 14.735 5.268 ( 0.716 6.085 13.401) 14.735 5.507 ( -5.254 3.030 -5.244) 8.018 5.507 ( -5.254 3.030 5.244) 8.018 5.804 ( 2.070 -5.789 -5.394) 8.179 5.804 ( 2.070 -5.789 5.394) 8.179 5.938 ( 7.279 5.118 -3.295) 9.489 5.938 ( 7.279 5.118 3.295) 9.489 6.245 ( -2.267 -0.848 -0.154) 2.425 6.245 ( -2.267 -0.848 0.154) 2.425 6.430 ( -2.055 11.013 -3.583) 11.762 6.430 ( -2.055 11.013 3.583) 11.762 7.065 ( 4.534 -1.197 -7.378) 8.742 7.065 ( 4.534 -1.197 7.378) 8.742 7.402 ( -4.958 -4.983 -13.609) 15.318 7.402 ( -4.958 -4.983 13.609) 15.318 8.068 ( 0.569 -1.356 -2.440) 2.849 8.068 ( 0.569 -1.356 2.440) 2.849 8.457 ( 0.814 -3.829 -3.851) 5.491 8.457 ( 0.814 -3.829 3.851) 5.491 9.048 ( 1.152 -7.093 -8.886) 11.428 9.048 ( 1.152 -7.093 8.886) 11.428 9.150 ( -1.147 2.093 -11.050) 11.305 9.150 ( -1.147 2.093 11.050) 11.305 9.490 ( 2.952 -1.904 -3.890) 5.241 9.490 ( 2.952 -1.904 3.890) 5.241 9.915 ( -0.355 -13.686 -4.618) 14.448 9.915 ( -0.355 -13.686 4.618) 14.448 10.403 ( 0.996 9.931 -1.064) 10.037 10.403 ( 0.996 9.931 1.064) 10.037 10.645 ( -0.523 7.472 -5.630) 9.370 10.645 ( -0.523 7.472 5.630) 9.370 10.725 ( -0.644 6.454 -4.740) 8.034 10.725 ( -0.644 6.454 4.740) 8.034 11.610 ( -0.728 -3.309 -2.492) 4.206 11.610 ( -0.728 -3.309 2.492) 4.206 11.814 ( -2.623 -5.362 -0.663) 6.006 11.814 ( -2.623 -5.362 0.663) 6.006 12.154 ( -5.753 -2.080 -2.166) 6.489 12.154 ( -5.753 -2.080 2.166) 6.489 12.348 ( 2.756 0.400 -0.196) 2.791 12.348 ( 2.756 0.400 0.196) 2.791 12.638 ( -0.347 -2.717 -3.298) 4.287 12.638 ( -0.347 -2.717 3.298) 4.287 12.944 ( 2.048 8.016 -7.280) 11.020 12.944 ( 2.048 8.016 7.280) 11.020 13.150 ( -1.768 10.769 -7.766) 13.395 13.150 ( -1.768 10.769 7.766) 13.395 13.837 ( 0.697 3.767 -3.179) 4.978 13.837 ( 0.697 3.767 3.179) 4.978 13.955 ( 1.732 0.180 -3.095) 3.551 13.955 ( 1.732 0.180 3.095) 3.551 15.648 ( -1.995 0.474 -3.609) 4.151 15.648 ( -1.995 0.474 3.609) 4.151 16.274 ( -2.720 3.688 -9.925) 10.932 16.274 ( -2.720 3.688 9.925) 10.932 16.835 ( 14.889 1.115 -3.159) 15.261 16.835 ( 14.889 1.115 3.159) 15.261 17.904 ( -12.881 -0.939 -11.491) 17.287 17.904 ( -12.881 -0.939 11.491) 17.287 21.488 ( 2.491 -1.504 -11.856) 12.208 21.488 ( 2.491 -1.504 11.856) 12.208 21.604 ( 7.645 -2.610 -5.329) 9.677 21.604 ( 7.645 -2.610 5.329) 9.677 22.636 ( -2.093 -2.321 -1.802) 3.608 22.636 ( -2.093 -2.321 1.802) 3.608 22.843 ( -4.468 -3.971 -4.053) 7.222 22.843 ( -4.468 -3.971 4.053) 7.222 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 12.943 -3.161 -5.402) 14.377 2.368 ( 12.943 -3.161 5.402) 14.377 2.516 ( 3.275 -2.859 -10.760) 11.605 2.516 ( 3.275 -2.859 10.760) 11.605 2.682 ( 0.243 -11.924 -3.431) 12.411 2.682 ( 0.243 -11.924 3.431) 12.411 2.861 ( -16.831 0.969 -7.755) 18.557 2.861 ( -16.831 0.969 7.755) 18.557 3.444 ( 2.305 19.092 -5.077) 19.889 3.444 ( 2.305 19.092 5.077) 19.889 3.548 ( -0.086 1.535 -1.121) 1.902 3.548 ( -0.086 1.535 1.121) 1.902 4.002 ( -0.388 14.727 -2.884) 15.012 4.002 ( -0.389 14.727 2.884) 15.012 4.897 ( 0.278 12.558 -3.884) 13.148 4.897 ( 0.278 12.558 3.884) 13.148 5.285 ( 0.835 4.617 -7.037) 8.458 5.285 ( 0.835 4.617 7.037) 8.458 5.425 ( -2.686 4.333 -4.087) 6.534 5.425 ( -2.686 4.333 4.087) 6.534 5.832 ( 0.740 -6.747 -2.219) 7.141 5.832 ( 0.740 -6.747 2.219) 7.141 6.082 ( 6.953 4.751 -1.872) 8.627 6.082 ( 6.953 4.751 1.872) 8.627 6.187 ( -4.015 1.733 -0.867) 4.459 6.187 ( -4.015 1.733 0.867) 4.459 6.394 ( -1.201 9.577 -1.841) 9.826 6.394 ( -1.201 9.577 1.841) 9.826 7.167 ( 5.861 -2.413 -5.791) 8.585 7.167 ( 5.861 -2.413 5.791) 8.585 7.288 ( -6.415 -4.195 -9.704) 12.366 7.288 ( -6.415 -4.195 9.704) 12.366 8.077 ( 0.279 -2.096 -0.967) 2.325 8.077 ( 0.279 -2.096 0.967) 2.325 8.472 ( 0.510 -2.986 -1.575) 3.415 8.472 ( 0.510 -2.986 1.575) 3.415 9.072 ( 1.076 -3.291 -6.123) 7.034 9.072 ( 1.076 -3.291 6.123) 7.034 9.127 ( -1.049 -1.898 -7.367) 7.680 9.127 ( -1.049 -1.898 7.367) 7.680 9.543 ( 1.930 -0.986 -2.182) 3.075 9.543 ( 1.930 -0.986 2.182) 3.075 9.908 ( -0.257 -15.547 -2.329) 15.723 9.908 ( -0.257 -15.547 2.329) 15.723 10.422 ( 0.728 9.722 -0.793) 9.782 10.422 ( 0.728 9.722 0.793) 9.782 10.634 ( -0.450 5.812 -3.462) 6.780 10.634 ( -0.450 5.812 3.462) 6.780 10.714 ( -0.345 7.761 -2.379) 8.125 10.714 ( -0.345 7.761 2.379) 8.125 11.590 ( -0.993 -4.333 -0.321) 4.457 11.590 ( -0.993 -4.333 0.321) 4.457 11.781 ( -0.499 -2.498 -0.627) 2.623 11.781 ( -0.499 -2.498 0.627) 2.623 12.049 ( -3.871 -3.283 -1.436) 5.275 12.049 ( -3.871 -3.283 1.436) 5.275 12.390 ( 1.343 0.939 -0.073) 1.641 12.390 ( 1.343 0.939 0.073) 1.641 12.627 ( -0.505 -1.380 -1.586) 2.162 12.627 ( -0.505 -1.380 1.586) 2.162 13.008 ( 4.247 7.599 -8.164) 11.935 13.008 ( 4.247 7.599 8.164) 11.935 13.097 ( -3.689 10.846 -7.811) 13.866 13.097 ( -3.689 10.846 7.811) 13.866 13.866 ( 1.603 4.654 -2.498) 5.520 13.866 ( 1.603 4.654 2.498) 5.520 13.968 ( -0.280 -0.530 -2.179) 2.260 13.968 ( -0.280 -0.530 2.179) 2.260 15.617 ( -0.934 3.214 -1.919) 3.858 15.617 ( -0.934 3.214 1.919) 3.858 16.233 ( -1.242 0.165 -3.006) 3.256 16.233 ( -1.242 0.165 3.006) 3.256 17.184 ( 20.614 0.374 -4.276) 21.056 17.184 ( 20.614 0.374 4.276) 21.056 17.581 ( -19.951 -0.575 -6.926) 21.127 17.581 ( -19.951 -0.575 6.926) 21.127 21.539 ( 1.935 -0.727 -4.159) 4.645 21.539 ( 1.935 -0.727 4.159) 4.645 21.741 ( 4.887 -2.426 -2.688) 6.082 21.741 ( 4.887 -2.426 2.688) 6.082 22.602 ( -0.947 -2.871 -1.473) 3.363 22.602 ( -0.947 -2.871 1.473) 3.363 22.751 ( -3.778 -4.005 -1.461) 5.697 22.751 ( -3.778 -4.005 1.461) 5.697 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 5.128 -9.400) 10.708 2.003 ( 0.000 5.128 9.400) 10.708 2.357 ( 0.000 -7.867 -17.457) 19.148 2.357 ( 0.000 -7.867 17.457) 19.148 2.524 ( 0.000 -10.118 -13.866) 17.165 2.524 ( 0.000 -10.118 13.866) 17.165 3.245 ( 0.000 -6.157 -0.874) 6.218 3.245 ( 0.000 -6.157 0.874) 6.218 3.681 ( 0.000 17.548 -5.207) 18.304 3.681 ( 0.000 17.548 5.207) 18.304 3.766 ( 0.000 16.094 -10.614) 19.279 3.766 ( 0.000 16.094 10.614) 19.279 4.288 ( 0.000 12.712 -4.813) 13.592 4.288 ( 0.000 12.712 4.813) 13.592 5.122 ( 0.000 5.509 -7.986) 9.702 5.122 ( 0.000 5.509 7.986) 9.702 5.421 ( 0.000 7.553 -7.056) 10.336 5.421 ( 0.000 7.553 7.056) 10.336 5.580 ( 0.000 2.348 -5.650) 6.118 5.580 ( 0.000 2.348 5.650) 6.118 5.836 ( 0.000 10.066 -3.624) 10.698 5.836 ( 0.000 10.066 3.624) 10.698 5.921 ( 0.000 -0.009 -1.786) 1.786 5.921 ( 0.000 -0.009 1.786) 1.786 6.297 ( 0.000 6.134 -0.254) 6.139 6.297 ( 0.000 6.134 0.254) 6.139 6.714 ( 0.000 10.666 -6.061) 12.268 6.714 ( 0.000 10.666 6.061) 12.268 7.037 ( 0.000 4.070 -11.290) 12.001 7.037 ( 0.000 4.070 11.290) 12.001 7.358 ( 0.000 -2.377 -15.398) 15.581 7.358 ( 0.000 -2.377 15.398) 15.581 8.045 ( 0.000 -0.434 -5.021) 5.040 8.045 ( 0.000 -0.434 5.021) 5.040 8.327 ( 0.000 -6.803 -2.619) 7.290 8.327 ( 0.000 -6.803 2.619) 7.290 8.779 ( 0.000 -13.799 -18.395) 22.996 8.779 ( 0.000 -13.799 18.395) 22.996 9.174 ( 0.000 -4.313 -1.176) 4.470 9.174 ( 0.000 -4.313 1.176) 4.470 9.355 ( 0.000 -9.760 -4.198) 10.625 9.355 ( 0.000 -9.760 4.198) 10.625 9.701 ( 0.000 -6.770 -7.951) 10.443 9.701 ( 0.000 -6.770 7.951) 10.443 10.626 ( 0.000 11.683 -3.606) 12.227 10.626 ( 0.000 11.683 3.606) 12.227 10.807 ( 0.000 5.735 -4.804) 7.482 10.807 ( 0.000 5.735 4.804) 7.482 10.852 ( 0.000 5.605 -5.871) 8.117 10.852 ( 0.000 5.605 5.871) 8.117 11.541 ( 0.000 -3.650 -0.336) 3.666 11.541 ( 0.000 -3.650 0.336) 3.666 11.704 ( 0.000 -6.651 -1.186) 6.756 11.704 ( 0.000 -6.651 1.186) 6.756 12.196 ( 0.000 -2.097 -0.179) 2.104 12.196 ( 0.000 -2.097 0.179) 2.104 12.288 ( 0.000 -0.256 -0.969) 1.003 12.288 ( 0.000 -0.256 0.969) 1.003 12.597 ( 0.000 0.169 -1.412) 1.422 12.597 ( 0.000 0.169 1.412) 1.422 13.184 ( 0.000 14.090 -9.168) 16.810 13.184 ( 0.000 14.090 9.168) 16.810 13.405 ( 0.000 11.974 -9.842) 15.499 13.405 ( 0.000 11.974 9.842) 15.499 13.884 ( 0.000 -2.078 -0.686) 2.188 13.884 ( 0.000 -2.078 0.686) 2.188 13.965 ( 0.000 5.703 -2.357) 6.170 13.965 ( 0.000 5.703 2.357) 6.170 15.619 ( 0.000 -3.357 -3.856) 5.112 15.619 ( 0.000 -3.357 3.856) 5.112 16.512 ( 0.000 10.910 -14.303) 17.989 16.512 ( 0.000 10.910 14.303) 17.989 16.684 ( 0.000 0.532 -1.570) 1.658 16.684 ( 0.000 0.532 1.570) 1.658 18.001 ( 0.000 -2.044 -12.844) 13.006 18.001 ( 0.000 -2.044 12.844) 13.006 21.400 ( 0.000 -3.943 -15.984) 16.463 21.400 ( 0.000 -3.943 15.984) 16.463 21.459 ( 0.000 -2.800 -0.597) 2.863 21.459 ( 0.000 -2.800 0.598) 2.863 22.603 ( 0.000 -3.072 -1.275) 3.325 22.603 ( 0.000 -3.072 1.275) 3.325 22.790 ( 0.000 -4.901 -3.026) 5.760 22.790 ( 0.000 -4.901 3.026) 5.760 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 8.960 1.882 -7.238) 11.671 2.096 ( 8.960 1.882 7.238) 11.671 2.361 ( 0.503 -7.156 -17.553) 18.962 2.361 ( 0.503 -7.156 17.553) 18.962 2.508 ( -1.032 -9.247 -12.187) 15.333 2.508 ( -1.032 -9.247 12.187) 15.333 3.112 ( -12.537 -4.868 -2.198) 13.628 3.112 ( -12.537 -4.868 2.198) 13.628 3.707 ( 2.131 16.732 -4.373) 17.424 3.707 ( 2.131 16.732 4.373) 17.424 3.797 ( 2.547 16.056 -8.144) 18.182 3.797 ( 2.547 16.056 8.144) 18.182 4.296 ( 0.683 13.190 -3.937) 13.782 4.296 ( 0.683 13.190 3.937) 13.782 5.146 ( 2.386 6.903 -7.758) 10.655 5.146 ( 2.386 6.903 7.758) 10.655 5.394 ( -2.873 4.963 -7.319) 9.298 5.394 ( -2.873 4.963 7.319) 9.298 5.570 ( -0.708 5.676 -5.288) 7.790 5.570 ( -0.708 5.676 5.288) 7.790 5.772 ( -2.902 3.768 -4.617) 6.628 5.772 ( -2.902 3.768 4.617) 6.628 6.025 ( 6.191 1.607 -2.155) 6.749 6.025 ( 6.191 1.607 2.155) 6.749 6.305 ( 1.240 8.536 -2.212) 8.905 6.305 ( 1.240 8.536 2.212) 8.905 6.686 ( -2.453 10.811 -5.144) 12.222 6.686 ( -2.453 10.811 5.144) 12.222 7.072 ( 3.102 3.147 -8.273) 9.380 7.072 ( 3.102 3.147 8.273) 9.380 7.310 ( -4.508 -2.346 -13.547) 14.469 7.310 ( -4.508 -2.346 13.547) 14.469 8.039 ( -0.493 -1.122 -3.671) 3.870 8.039 ( -0.493 -1.122 3.671) 3.870 8.355 ( 2.401 -5.543 -2.178) 6.421 8.355 ( 2.401 -5.543 2.178) 6.421 8.809 ( 3.083 -13.651 -16.976) 22.001 8.809 ( 3.083 -13.651 16.976) 22.001 9.123 ( -4.614 -5.456 -9.377) 11.789 9.123 ( -4.614 -5.456 9.377) 11.789 9.408 ( 4.778 -9.717 -7.810) 13.351 9.408 ( 4.778 -9.717 7.810) 13.351 9.679 ( -2.296 -6.784 -8.056) 10.780 9.679 ( -2.296 -6.784 8.056) 10.780 10.637 ( 1.081 11.644 -3.355) 12.166 10.637 ( 1.081 11.644 3.355) 12.166 10.786 ( -1.738 5.608 -5.224) 7.859 10.786 ( -1.738 5.608 5.224) 7.859 10.857 ( 0.246 5.830 -4.456) 7.342 10.857 ( 0.246 5.830 4.456) 7.342 11.517 ( -2.683 -5.239 -1.578) 6.094 11.517 ( -2.683 -5.239 1.578) 6.094 11.705 ( 1.049 -4.020 -2.683) 4.946 11.705 ( 1.049 -4.020 2.683) 4.946 12.126 ( -6.240 -0.699 -0.722) 6.321 12.126 ( -6.240 -0.699 0.722) 6.321 12.332 ( 3.600 -1.559 -0.438) 3.947 12.332 ( 3.600 -1.559 0.438) 3.947 12.596 ( -0.493 -0.736 -1.570) 1.802 12.596 ( -0.493 -0.736 1.570) 1.802 13.188 ( 0.584 13.213 -8.436) 15.687 13.188 ( 0.584 13.213 8.436) 15.687 13.405 ( -0.034 13.437 -8.316) 15.802 13.405 ( -0.034 13.437 8.316) 15.802 13.876 ( 0.740 -0.835 -1.706) 2.039 13.876 ( 0.740 -0.835 1.706) 2.039 14.007 ( 2.211 4.877 -0.880) 5.427 14.007 ( 2.211 4.877 0.880) 5.427 15.646 ( 2.692 -0.839 -3.760) 4.700 15.646 ( 2.692 -0.839 3.760) 4.700 16.374 ( -9.099 5.341 -7.452) 12.917 16.374 ( -9.099 5.341 7.452) 12.917 16.873 ( 14.702 2.587 -4.280) 15.530 16.873 ( 14.702 2.587 4.280) 15.530 17.873 ( -12.661 -1.942 -10.757) 16.727 17.873 ( -12.661 -1.942 10.757) 16.727 21.446 ( 4.164 -2.360 -11.475) 12.433 21.446 ( 4.164 -2.360 11.475) 12.433 21.536 ( 7.315 -3.600 -4.911) 9.517 21.536 ( 7.315 -3.600 4.911) 9.517 22.574 ( -2.643 -3.311 -1.945) 4.662 22.574 ( -2.643 -3.311 1.945) 4.662 22.742 ( -4.662 -5.070 -2.201) 7.231 22.742 ( -4.662 -5.070 2.201) 7.231 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 6.826 -7.646 -3.712) 10.901 2.272 ( 6.826 -7.646 3.712) 10.901 2.362 ( -1.190 -6.451 -14.216) 15.657 2.362 ( -1.190 -6.451 14.216) 15.657 2.552 ( 8.047 -3.420 -3.028) 9.253 2.552 ( 8.047 -3.420 3.028) 9.253 2.828 ( -15.668 -3.345 -3.094) 16.317 2.828 ( -15.668 -3.345 3.094) 16.317 3.743 ( 1.214 15.932 -1.796) 16.078 3.743 ( 1.214 15.932 1.796) 16.078 3.836 ( 1.174 16.330 -3.173) 16.677 3.836 ( 1.174 16.330 3.173) 16.677 4.307 ( 0.356 14.126 -1.541) 14.215 4.307 ( 0.356 14.126 1.541) 14.215 5.200 ( 2.760 12.120 -5.606) 13.636 5.200 ( 2.760 12.120 5.606) 13.636 5.326 ( -3.387 -1.309 -5.349) 6.465 5.326 ( -3.387 -1.309 5.349) 6.465 5.564 ( -0.004 9.822 -2.043) 10.032 5.564 ( -0.004 9.822 2.043) 10.032 5.741 ( -0.668 -0.750 -2.331) 2.538 5.741 ( -0.668 -0.750 2.331) 2.538 6.099 ( 1.571 -1.019 -1.695) 2.525 6.099 ( 1.571 -1.019 1.695) 2.525 6.348 ( 2.358 12.235 -2.336) 12.677 6.348 ( 2.358 12.235 2.336) 12.677 6.642 ( -1.562 11.475 -2.101) 11.770 6.642 ( -1.562 11.475 2.101) 11.770 7.132 ( 2.881 -0.117 -4.379) 5.243 7.132 ( 2.881 -0.117 4.379) 5.243 7.217 ( -4.271 -0.857 -8.774) 9.796 7.217 ( -4.271 -0.857 8.774) 9.796 8.032 ( -0.184 -1.735 -1.199) 2.117 8.032 ( -0.184 -1.735 1.199) 2.117 8.395 ( 1.316 -4.041 -0.889) 4.342 8.395 ( 1.316 -4.041 0.889) 4.342 8.888 ( 4.768 -13.218 -12.872) 19.056 8.888 ( 4.768 -13.218 12.872) 19.056 9.021 ( -5.453 -7.082 -10.635) 13.893 9.021 ( -5.453 -7.082 10.635) 13.893 9.512 ( 5.612 -10.941 -8.031) 14.687 9.512 ( 5.612 -10.941 8.031) 14.687 9.615 ( -4.296 -5.939 -7.942) 10.808 9.615 ( -4.296 -5.939 7.942) 10.808 10.660 ( 0.996 11.925 -1.931) 12.121 10.660 ( 0.996 11.925 1.931) 12.121 10.756 ( -1.135 5.340 -2.938) 6.200 10.756 ( -1.135 5.340 2.938) 6.200 10.859 ( 0.021 6.079 -1.641) 6.296 10.859 ( 0.021 6.079 1.641) 6.296 11.458 ( -2.402 -7.027 -1.039) 7.498 11.458 ( -2.402 -7.027 1.039) 7.498 11.757 ( 3.427 0.099 -1.754) 3.851 11.757 ( 3.427 0.099 1.754) 3.851 11.997 ( -5.745 -1.406 -0.964) 5.993 11.997 ( -5.745 -1.406 0.964) 5.993 12.399 ( 2.673 -0.260 -0.934) 2.843 12.399 ( 2.673 -0.260 0.934) 2.843 12.575 ( -1.302 -3.200 -1.283) 3.685 12.575 ( -1.302 -3.200 1.283) 3.685 13.206 ( 0.916 10.874 -4.180) 11.686 13.206 ( 0.916 10.874 4.180) 11.686 13.401 ( -0.276 16.296 -3.654) 16.703 13.401 ( -0.276 16.296 3.654) 16.703 13.919 ( 2.924 -0.715 -1.394) 3.317 13.919 ( 2.924 -0.715 1.394) 3.317 14.013 ( -1.275 5.613 -0.575) 5.784 14.013 ( -1.275 5.613 0.575) 5.784 15.704 ( 2.464 4.833 -1.957) 5.767 15.704 ( 2.464 4.833 1.957) 5.767 16.231 ( -4.763 -0.495 -2.443) 5.376 16.231 ( -4.763 -0.495 2.443) 5.376 17.194 ( 18.681 0.651 -3.516) 19.021 17.194 ( 18.681 0.651 3.516) 19.021 17.562 ( -18.849 -1.202 -6.171) 19.870 17.562 ( -18.849 -1.202 6.171) 19.870 21.522 ( 2.728 -0.758 -3.802) 4.741 21.522 ( 2.728 -0.758 3.802) 4.741 21.674 ( 5.119 -3.751 -2.179) 6.710 21.674 ( 5.119 -3.751 2.179) 6.710 22.529 ( -1.400 -3.734 -1.637) 4.310 22.529 ( -1.400 -3.734 1.637) 4.310 22.646 ( -4.002 -5.528 -0.812) 6.873 22.646 ( -4.002 -5.528 0.812) 6.873 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.000 1.955 -2.812) 3.424 2.089 ( 0.000 1.955 2.812) 3.424 2.260 ( 0.000 -2.815 -10.573) 10.941 2.260 ( 0.000 -2.815 10.573) 10.941 2.337 ( 0.000 -4.928 -5.537) 7.413 2.337 ( 0.000 -4.928 5.537) 7.413 3.120 ( 0.000 -5.172 -0.179) 5.176 3.120 ( 0.000 -5.172 0.179) 5.176 3.989 ( 0.000 10.162 -3.738) 10.828 3.989 ( 0.000 10.162 3.738) 10.828 4.066 ( 0.000 11.913 -5.132) 12.971 4.066 ( 0.000 11.913 5.132) 12.971 4.536 ( 0.000 11.388 -0.431) 11.396 4.536 ( 0.000 11.388 0.431) 11.396 5.036 ( 0.000 -9.983 -2.017) 10.184 5.036 ( 0.000 -9.983 2.017) 10.184 5.561 ( 0.000 6.590 -1.838) 6.841 5.561 ( 0.000 6.590 1.838) 6.841 5.753 ( 0.000 8.769 -5.991) 10.620 5.753 ( 0.000 8.769 5.991) 10.620 5.846 ( 0.000 -5.472 -0.574) 5.502 5.846 ( 0.000 -5.472 0.574) 5.502 6.099 ( 0.000 12.550 -2.032) 12.713 6.099 ( 0.000 12.550 2.032) 12.713 6.492 ( 0.000 9.951 -1.539) 10.069 6.492 ( 0.000 9.951 1.539) 10.069 6.817 ( 0.000 1.023 -6.266) 6.349 6.817 ( 0.000 1.023 6.266) 6.349 7.146 ( 0.000 2.624 -6.787) 7.277 7.146 ( 0.000 2.624 6.787) 7.277 7.436 ( 0.000 9.867 -8.357) 12.930 7.436 ( 0.000 9.867 8.357) 12.930 8.056 ( 0.000 1.846 -9.193) 9.376 8.056 ( 0.000 1.846 9.193) 9.376 8.188 ( 0.000 -5.873 -2.760) 6.489 8.188 ( 0.000 -5.873 2.760) 6.489 8.529 ( 0.000 -8.739 -16.218) 18.422 8.529 ( 0.000 -8.739 16.218) 18.422 8.998 ( 0.000 -14.970 -14.938) 21.148 8.998 ( 0.000 -14.970 14.938) 21.148 9.108 ( 0.000 -6.964 -7.463) 10.207 9.108 ( 0.000 -6.964 7.463) 10.207 9.579 ( 0.000 -6.258 -7.630) 9.868 9.579 ( 0.000 -6.258 7.630) 9.868 10.820 ( 0.000 5.222 -2.868) 5.958 10.820 ( 0.000 5.222 2.868) 5.958 10.882 ( 0.000 2.098 -1.191) 2.412 10.882 ( 0.000 2.098 1.191) 2.412 11.006 ( 0.000 10.060 -4.929) 11.202 11.006 ( 0.000 10.060 4.929) 11.202 11.441 ( 0.000 -6.507 -4.522) 7.924 11.441 ( 0.000 -6.507 4.522) 7.924 11.609 ( 0.000 -2.171 -2.149) 3.054 11.609 ( 0.000 -2.171 2.149) 3.054 12.136 ( 0.000 -2.802 -0.294) 2.817 12.136 ( 0.000 -2.802 0.294) 2.817 12.311 ( 0.000 1.570 -0.240) 1.588 12.311 ( 0.000 1.570 0.240) 1.588 12.621 ( 0.000 1.397 -1.304) 1.911 12.621 ( 0.000 1.397 1.304) 1.911 13.458 ( 0.000 11.516 -7.383) 13.679 13.458 ( 0.000 11.516 7.383) 13.679 13.636 ( 0.000 8.495 -7.309) 11.207 13.636 ( 0.000 8.495 7.309) 11.207 13.825 ( 0.000 -2.998 -0.217) 3.006 13.825 ( 0.000 -2.998 0.217) 3.006 14.072 ( 0.000 4.002 -1.338) 4.220 14.072 ( 0.000 4.002 1.338) 4.220 15.543 ( 0.000 -3.473 -3.753) 5.113 15.543 ( 0.000 -3.473 3.753) 5.113 16.672 ( 0.000 1.520 -1.568) 2.184 16.672 ( 0.000 1.520 1.568) 2.184 16.747 ( 0.000 7.340 -9.135) 11.718 16.747 ( 0.000 7.340 9.135) 11.718 17.952 ( 0.000 -2.282 -9.022) 9.306 17.952 ( 0.000 -2.282 9.022) 9.306 21.323 ( 0.000 -2.944 -7.906) 8.436 21.323 ( 0.000 -2.944 7.906) 8.436 21.407 ( 0.000 -1.988 -0.342) 2.017 21.407 ( 0.000 -1.988 0.342) 2.017 22.544 ( 0.000 -2.245 -1.054) 2.480 22.544 ( 0.000 -2.245 1.054) 2.480 22.705 ( 0.000 -3.009 -1.141) 3.218 22.705 ( 0.000 -3.009 1.141) 3.218 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 1.406 -0.732 -1.619) 2.266 2.105 ( 1.406 -0.732 1.619) 2.266 2.254 ( -1.089 -5.731 -9.360) 11.029 2.254 ( -1.089 -5.731 9.360) 11.029 2.374 ( 4.727 -0.865 -1.778) 5.124 2.374 ( 4.727 -0.865 1.778) 5.124 3.011 ( -10.493 -4.158 -0.425) 11.294 3.011 ( -10.493 -4.158 0.425) 11.294 4.014 ( 2.308 10.631 -3.343) 11.381 4.014 ( 2.308 10.631 3.343) 11.381 4.090 ( 1.812 11.279 -4.370) 12.231 4.090 ( 1.812 11.279 4.370) 12.231 4.554 ( 1.677 11.877 -0.325) 11.999 4.554 ( 1.677 11.877 0.325) 11.999 5.063 ( 2.558 -10.301 -2.024) 10.805 5.063 ( 2.558 -10.301 2.024) 10.805 5.530 ( -2.918 7.057 -1.634) 7.809 5.530 ( -2.918 7.057 1.634) 7.809 5.734 ( -1.501 3.008 -4.050) 5.263 5.734 ( -1.501 3.008 4.050) 5.263 5.846 ( -0.103 3.997 -1.881) 4.419 5.846 ( -0.103 3.997 1.881) 4.419 6.103 ( 0.264 7.022 -2.805) 7.567 6.103 ( 0.264 7.022 2.805) 7.567 6.531 ( 3.690 10.391 -2.992) 11.425 6.531 ( 3.690 10.391 2.992) 11.425 6.798 ( -1.581 1.269 -5.549) 5.907 6.798 ( -1.581 1.269 5.549) 5.907 7.159 ( 1.141 2.478 -4.406) 5.182 7.159 ( 1.141 2.478 4.406) 5.182 7.389 ( -4.350 9.596 -6.453) 12.355 7.389 ( -4.350 9.596 6.453) 12.355 8.040 ( -0.824 1.955 -6.282) 6.631 8.040 ( -0.824 1.955 6.282) 6.631 8.244 ( 4.380 -4.991 -2.321) 7.034 8.244 ( 4.380 -4.991 2.321) 7.034 8.550 ( 2.298 -9.468 -13.925) 16.995 8.550 ( 2.298 -9.468 13.925) 16.995 8.945 ( -4.734 -12.640 -12.727) 18.551 8.945 ( -4.734 -12.640 12.727) 18.551 9.157 ( 4.211 -8.370 -7.583) 12.054 9.157 ( 4.211 -8.370 7.583) 12.054 9.554 ( -2.501 -7.080 -7.000) 10.265 9.554 ( -2.501 -7.080 7.000) 10.265 10.823 ( 0.378 4.841 -2.562) 5.490 10.823 ( 0.378 4.841 2.562) 5.490 10.870 ( -1.088 2.486 -1.104) 2.930 10.870 ( -1.088 2.486 1.104) 2.930 11.009 ( 0.173 9.694 -4.037) 10.502 11.009 ( 0.173 9.694 4.037) 10.502 11.400 ( -3.784 -6.225 -3.691) 8.167 11.400 ( -3.784 -6.225 3.691) 8.167 11.656 ( 4.706 -0.987 -2.097) 5.246 11.656 ( 4.706 -0.987 2.097) 5.246 12.111 ( -3.873 -0.925 -1.131) 4.139 12.111 ( -3.873 -0.925 1.131) 4.139 12.310 ( 1.394 -0.255 -0.467) 1.492 12.310 ( 1.394 -0.255 0.467) 1.492 12.593 ( -3.004 0.086 -1.767) 3.486 12.593 ( -3.004 0.086 1.767) 3.486 13.445 ( -0.921 10.970 -4.789) 12.005 13.445 ( -0.921 10.970 4.789) 12.005 13.652 ( 0.878 7.195 -3.880) 8.221 13.652 ( 0.878 7.195 3.880) 8.221 13.848 ( 3.242 -0.016 -2.537) 4.117 13.848 ( 3.242 -0.016 2.537) 4.117 14.104 ( 1.999 3.563 -1.131) 4.240 14.104 ( 1.999 3.563 1.131) 4.240 15.616 ( 7.494 -1.744 -3.452) 8.433 15.616 ( 7.494 -1.744 3.452) 8.433 16.470 ( -13.380 3.396 -3.430) 14.224 16.470 ( -13.380 3.396 3.430) 14.224 16.937 ( 12.536 3.168 -4.394) 13.656 16.937 ( 12.536 3.168 4.394) 13.656 17.828 ( -12.245 -2.109 -7.502) 14.514 17.828 ( -12.245 -2.109 7.502) 14.514 21.400 ( 6.771 -1.842 -8.274) 10.849 21.400 ( 6.771 -1.842 8.274) 10.849 21.469 ( 6.156 -2.488 -4.803) 8.195 21.469 ( 6.156 -2.488 4.803) 8.195 22.512 ( -2.967 -2.343 -1.411) 4.035 22.512 ( -2.967 -2.343 1.411) 4.035 22.652 ( -5.136 -3.222 -0.818) 6.117 22.652 ( -5.136 -3.222 0.818) 6.117 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 1.008 -4.241 -2.136) 4.854 2.131 ( 1.008 -4.241 2.136) 4.854 2.226 ( -1.272 -6.804 -5.010) 8.545 2.226 ( -1.272 -6.804 5.010) 8.545 2.526 ( 10.917 0.465 -1.924) 11.095 2.526 ( 10.917 0.465 1.924) 11.095 2.769 ( -13.672 -1.947 -1.484) 13.890 2.769 ( -13.672 -1.947 1.484) 13.890 4.058 ( 1.738 11.912 -1.929) 12.192 4.058 ( 1.738 11.912 1.929) 12.192 4.113 ( 0.426 9.792 -2.306) 10.069 4.113 ( 0.426 9.792 2.306) 10.069 4.586 ( 1.144 12.857 -0.116) 12.909 4.586 ( 1.144 12.857 0.116) 12.909 5.112 ( 1.846 -11.213 -1.097) 11.416 5.112 ( 1.846 -11.213 1.097) 11.416 5.475 ( -2.087 8.293 -0.858) 8.595 5.475 ( -2.087 8.293 0.858) 8.595 5.712 ( -0.606 -2.217 -1.551) 2.773 5.712 ( -0.606 -2.217 1.551) 2.773 5.841 ( -0.296 12.831 -1.325) 12.902 5.841 ( -0.296 12.831 1.325) 12.902 6.106 ( 0.084 1.242 -1.594) 2.023 6.106 ( 0.084 1.242 1.594) 2.023 6.599 ( 2.342 9.740 -1.912) 10.198 6.599 ( 2.342 9.740 1.912) 10.198 6.775 ( -0.556 1.328 -3.002) 3.329 6.775 ( -0.556 1.328 3.002) 3.329 7.176 ( 0.456 4.860 -4.805) 6.850 7.176 ( 0.456 4.860 4.805) 6.850 7.309 ( -2.898 7.491 -4.036) 8.989 7.309 ( -2.898 7.491 4.036) 8.989 8.034 ( -0.047 2.794 -2.019) 3.448 8.034 ( -0.047 2.794 2.019) 3.448 8.310 ( 1.986 -4.510 -0.315) 4.939 8.310 ( 1.986 -4.510 0.315) 4.939 8.613 ( 3.511 -10.662 -7.928) 13.743 8.613 ( 3.511 -10.662 7.928) 13.743 8.845 ( -4.603 -10.741 -7.801) 14.050 8.845 ( -4.603 -10.741 7.801) 14.050 9.237 ( 3.174 -8.323 -4.081) 9.798 9.237 ( 3.174 -8.323 4.081) 9.798 9.500 ( -2.339 -8.693 -3.834) 9.785 9.500 ( -2.339 -8.693 3.834) 9.785 10.833 ( 0.596 3.749 -1.621) 4.128 10.833 ( 0.596 3.749 1.621) 4.128 10.850 ( -0.806 3.407 -0.752) 3.581 10.850 ( -0.806 3.407 0.752) 3.581 11.012 ( 0.143 9.268 -1.591) 9.405 11.012 ( 0.143 9.268 1.591) 9.405 11.330 ( -2.534 -5.496 -1.461) 6.225 11.330 ( -2.534 -5.496 1.461) 6.225 11.776 ( 7.046 1.511 -1.329) 7.328 11.776 ( 7.046 1.511 1.329) 7.328 11.985 ( -7.723 -0.119 -0.921) 7.779 11.985 ( -7.723 -0.119 0.921) 7.779 12.381 ( 4.989 -1.256 -1.179) 5.278 12.381 ( 4.989 -1.256 1.179) 5.278 12.512 ( -4.922 -2.413 -1.908) 5.804 12.512 ( -4.921 -2.413 1.908) 5.804 13.435 ( -0.199 10.400 -1.521) 10.512 13.435 ( -0.199 10.400 1.521) 10.512 13.659 ( 0.100 5.004 -0.872) 5.080 13.659 ( 0.100 5.004 0.872) 5.080 13.932 ( 4.013 4.245 -1.746) 6.097 13.932 ( 4.013 4.245 1.746) 6.097 14.114 ( -0.798 2.952 -0.828) 3.168 14.114 ( -0.798 2.952 0.828) 3.168 15.802 ( 10.174 4.119 -1.878) 11.135 15.802 ( 10.174 4.119 1.878) 11.135 16.211 ( -12.021 -1.318 -1.252) 12.157 16.211 ( -12.021 -1.318 1.252) 12.157 17.209 ( 16.029 0.633 -2.176) 16.188 17.209 ( 16.029 0.633 2.176) 16.188 17.534 ( -17.336 -1.273 -4.069) 17.852 17.534 ( -17.336 -1.273 4.069) 17.853 21.515 ( 3.904 0.223 -3.339) 5.142 21.515 ( 3.904 0.223 3.339) 5.142 21.596 ( 5.046 -3.438 -2.409) 6.564 21.596 ( 5.046 -3.438 2.409) 6.564 22.463 ( -1.197 -2.252 -1.455) 2.936 22.463 ( -1.197 -2.252 1.455) 2.936 22.542 ( -4.934 -3.989 -0.861) 6.403 22.542 ( -4.934 -3.989 0.861) 6.403 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 0.000 0.000 -0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 -0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 -0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 -0.000 0.000) 0.000 5.682 ( 0.000 -0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 -0.000 -0.000) 0.000 8.109 ( 0.000 -0.000 0.000) 0.000 8.110 ( 0.000 0.000 -0.000) 0.000 8.110 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 -0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 9.053 ( 0.000 0.000 -0.000) 0.000 9.053 ( 0.000 0.000 0.000) 0.000 9.493 ( 0.000 -0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 10.864 ( 0.000 0.000 0.000) 0.000 10.864 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 11.188 ( 0.000 0.000 0.000) 0.000 11.188 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 -0.000 0.000) 0.000 11.591 ( 0.000 0.000 0.000) 0.000 11.591 ( 0.000 0.000 0.000) 0.000 12.104 ( 0.000 0.000 0.000) 0.000 12.104 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 13.644 ( 0.000 -0.000 0.000) 0.000 13.644 ( 0.000 0.000 0.000) 0.000 13.652 ( 0.000 -0.000 -0.000) 0.000 13.652 ( 0.000 0.000 -0.000) 0.000 13.812 ( 0.000 0.000 0.000) 0.000 13.812 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 15.501 ( 0.000 0.000 0.000) 0.000 15.501 ( 0.000 0.000 0.000) 0.000 16.681 ( 0.000 0.000 0.000) 0.000 16.681 ( 0.000 0.000 0.000) 0.000 16.838 ( 0.000 0.000 0.000) 0.000 16.838 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 0.000) 0.000 21.291 ( 0.000 0.000 0.000) 0.000 21.291 ( 0.000 0.000 0.000) 0.000 21.385 ( 0.000 0.000 -0.000) 0.000 21.385 ( 0.000 0.000 0.000) 0.000 22.520 ( 0.000 0.000 0.000) 0.000 22.520 ( 0.000 0.000 0.000) 0.000 22.672 ( 0.000 0.000 0.000) 0.000 22.672 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -0.079 0.000 -0.000) 0.079 2.104 ( -0.079 0.000 0.000) 0.079 2.166 ( -2.274 0.000 0.000) 2.274 2.166 ( -2.274 0.000 0.000) 2.274 2.389 ( 5.647 -0.000 0.000) 5.647 2.389 ( 5.647 0.000 0.000) 5.647 2.963 ( -9.322 0.000 0.000) 9.322 2.963 ( -9.322 0.000 0.000) 9.322 4.125 ( 2.807 0.000 0.000) 2.807 4.125 ( 2.807 0.000 0.000) 2.807 4.215 ( 1.195 -0.000 0.000) 1.195 4.215 ( 1.195 0.000 0.000) 1.195 4.773 ( 2.994 -0.000 0.000) 2.994 4.773 ( 2.994 0.000 0.000) 2.994 4.854 ( 1.494 -0.000 0.000) 1.494 4.854 ( 1.494 0.000 0.000) 1.494 5.662 ( -1.961 -0.000 0.000) 1.961 5.662 ( -1.961 -0.000 0.000) 1.961 5.672 ( -3.828 0.000 0.000) 3.828 5.672 ( -3.828 0.000 0.000) 3.828 5.918 ( 4.638 0.000 0.000) 4.638 5.918 ( 4.638 0.000 0.000) 4.638 6.202 ( -4.209 0.000 0.000) 4.209 6.202 ( -4.209 0.000 0.000) 4.209 6.650 ( 3.214 0.000 0.000) 3.214 6.650 ( 3.214 0.000 0.000) 3.214 6.805 ( -1.806 0.000 -0.000) 1.806 6.805 ( -1.806 0.000 0.000) 1.806 7.185 ( 2.736 0.000 0.000) 2.736 7.185 ( 2.736 0.000 0.000) 2.736 7.519 ( -5.349 0.000 0.000) 5.349 7.519 ( -5.349 0.000 0.000) 5.349 8.125 ( 1.519 -0.000 -0.000) 1.519 8.125 ( 1.519 0.000 0.000) 1.519 8.140 ( 2.406 0.000 0.000) 2.406 8.140 ( 2.406 0.000 0.000) 2.406 8.466 ( 2.218 0.000 0.000) 2.218 8.466 ( 2.218 0.000 0.000) 2.218 8.735 ( -3.145 0.000 0.000) 3.145 8.735 ( -3.145 0.000 0.000) 3.145 9.099 ( 4.568 0.000 0.000) 4.568 9.099 ( 4.568 0.000 0.000) 4.568 9.450 ( -4.274 -0.000 0.000) 4.274 9.450 ( -4.274 0.000 0.000) 4.274 10.865 ( 0.169 0.000 -0.000) 0.169 10.865 ( 0.169 0.000 0.000) 0.169 10.895 ( -0.843 0.000 0.000) 0.843 10.895 ( -0.843 0.000 0.000) 0.843 11.182 ( -0.464 0.000 0.000) 0.464 11.182 ( -0.464 0.000 0.000) 0.464 11.276 ( -3.019 -0.000 0.000) 3.019 11.276 ( -3.019 0.000 0.000) 3.019 11.649 ( 5.803 0.000 0.000) 5.803 11.649 ( 5.803 0.000 0.000) 5.803 12.097 ( -2.100 0.000 0.000) 2.100 12.097 ( -2.100 0.000 0.000) 2.100 12.311 ( -0.396 0.000 0.000) 0.396 12.311 ( -0.396 0.000 0.000) 0.396 12.594 ( -4.380 0.000 0.000) 4.380 12.594 ( -4.380 0.000 0.000) 4.380 13.629 ( -0.984 -0.000 0.000) 0.984 13.629 ( -0.984 0.000 0.000) 0.984 13.632 ( -1.430 -0.000 -0.000) 1.430 13.632 ( -1.430 0.000 -0.000) 1.430 13.887 ( 6.768 0.000 0.000) 6.768 13.887 ( 6.768 0.000 0.000) 6.768 14.140 ( 1.400 0.000 0.000) 1.400 14.140 ( 1.400 0.000 0.000) 1.400 15.593 ( 9.587 0.000 0.000) 9.587 15.593 ( 9.587 0.000 0.000) 9.587 16.506 ( -14.096 0.000 0.000) 14.096 16.506 ( -14.096 0.000 0.000) 14.096 16.976 ( 10.585 0.000 0.000) 10.585 16.976 ( 10.585 0.000 0.000) 10.585 17.803 ( -11.958 0.000 0.000) 11.958 17.803 ( -11.958 0.000 0.000) 11.958 21.379 ( 8.182 -0.000 0.000) 8.182 21.379 ( 8.182 0.000 0.000) 8.182 21.442 ( 5.382 0.000 -0.000) 5.382 21.442 ( 5.382 0.000 0.000) 5.382 22.486 ( -3.039 0.000 0.000) 3.039 22.486 ( -3.039 0.000 0.000) 3.039 22.618 ( -5.412 0.000 0.000) 5.412 22.618 ( -5.412 0.000 0.000) 5.412 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.489 -0.000 -0.000) 0.489 2.107 ( 0.489 0.000 0.000) 0.489 2.127 ( -1.616 -0.000 0.000) 1.616 2.127 ( -1.616 0.000 0.000) 1.616 2.536 ( 9.750 -0.000 0.000) 9.750 2.536 ( 9.750 0.000 0.000) 9.750 2.749 ( -12.064 0.000 0.000) 12.064 2.749 ( -12.064 0.000 0.000) 12.064 4.184 ( 2.926 0.000 0.000) 2.926 4.184 ( 2.926 0.000 0.000) 2.926 4.222 ( -0.825 0.000 0.000) 0.825 4.222 ( -0.825 0.000 0.000) 0.825 4.838 ( 3.226 -0.000 0.000) 3.226 4.838 ( 3.226 0.000 0.000) 3.226 4.872 ( -0.139 -0.000 0.000) 0.139 4.872 ( -0.139 0.000 0.000) 0.139 5.617 ( -1.447 -0.000 0.000) 1.447 5.617 ( -1.447 0.000 0.000) 1.447 5.622 ( -1.695 -0.000 0.000) 1.695 5.622 ( -1.695 0.000 0.000) 1.695 6.012 ( 5.101 -0.000 0.000) 5.101 6.012 ( 5.101 0.000 0.000) 5.101 6.110 ( -5.182 0.000 0.000) 5.182 6.110 ( -5.182 0.000 0.000) 5.182 6.711 ( 2.973 -0.000 0.000) 2.973 6.711 ( 2.973 0.000 0.000) 2.973 6.763 ( -2.520 -0.000 -0.000) 2.520 6.763 ( -2.520 0.000 0.000) 2.520 7.268 ( 5.824 -0.000 0.000) 5.824 7.268 ( 5.824 0.000 0.000) 5.824 7.395 ( -7.125 0.000 0.000) 7.125 7.395 ( -7.125 0.000 0.000) 7.125 8.157 ( 1.537 -0.000 -0.000) 1.537 8.157 ( 1.537 0.000 -0.000) 1.537 8.171 ( 0.415 -0.000 0.000) 0.415 8.171 ( 0.415 0.000 0.000) 0.415 8.539 ( 5.347 -0.000 -0.000) 5.347 8.539 ( 5.347 0.000 0.000) 5.347 8.649 ( -5.619 0.000 0.000) 5.619 8.649 ( -5.619 0.000 0.000) 5.619 9.211 ( 6.828 -0.000 0.000) 6.828 9.211 ( 6.828 0.000 0.000) 6.828 9.343 ( -6.653 -0.000 0.000) 6.653 9.343 ( -6.653 0.000 0.000) 6.653 10.871 ( 0.374 0.000 -0.000) 0.374 10.871 ( 0.374 -0.000 0.000) 0.374 10.880 ( -0.631 -0.000 0.000) 0.631 10.880 ( -0.631 0.000 0.000) 0.631 11.181 ( 0.636 -0.000 -0.000) 0.636 11.181 ( 0.636 0.000 0.000) 0.636 11.215 ( -2.889 -0.000 0.000) 2.889 11.215 ( -2.889 0.000 0.000) 2.889 11.798 ( 9.457 0.000 0.000) 9.457 11.798 ( 9.457 0.000 0.000) 9.457 11.983 ( -9.088 0.000 0.000) 9.088 11.983 ( -9.088 0.000 0.000) 9.088 12.364 ( 5.494 0.000 0.000) 5.494 12.364 ( 5.494 0.000 0.000) 5.494 12.485 ( -6.568 -0.000 0.000) 6.568 12.485 ( -6.568 0.000 0.000) 6.568 13.615 ( -0.300 -0.000 0.000) 0.300 13.615 ( -0.300 0.001 0.000) 0.300 13.617 ( -0.351 -0.001 -0.000) 0.351 13.617 ( -0.351 0.000 -0.000) 0.351 14.027 ( 7.080 -0.000 0.000) 7.080 14.027 ( 7.080 0.000 0.000) 7.080 14.129 ( -3.079 0.000 0.000) 3.079 14.129 ( -3.079 0.000 0.000) 3.079 15.851 ( 16.757 0.000 0.000) 16.757 15.851 ( 16.757 0.000 0.000) 16.757 16.193 ( -18.163 0.000 0.000) 18.163 16.193 ( -18.163 0.000 0.000) 18.163 17.216 ( 14.632 0.000 0.000) 14.632 17.216 ( 14.632 0.000 0.000) 14.632 17.519 ( -16.517 0.000 0.000) 16.517 17.519 ( -16.517 0.000 0.000) 16.517 21.531 ( 5.623 -0.000 0.000) 5.623 21.531 ( 5.623 0.000 0.000) 5.623 21.545 ( 3.815 -0.000 -0.000) 3.815 21.545 ( 3.815 0.000 0.000) 3.815 22.440 ( -0.483 0.000 0.000) 0.483 22.440 ( -0.483 0.000 0.000) 0.483 22.497 ( -5.972 0.000 0.000) 5.972 22.497 ( -5.972 0.000 0.000) 5.972 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33600 10.0 1309.404 1920.526 1806.208 0.000 0.000 0.000 3/33600 20.0 185.160 225.834 140.520 0.000 0.000 0.000 3/33600 30.0 48.300 58.863 35.621 0.000 0.000 0.000 3/33600 40.0 20.281 25.787 15.628 0.000 0.000 0.000 3/33600 50.0 11.329 15.042 9.099 0.000 0.000 0.000 3/33600 60.0 7.497 10.332 6.228 0.000 0.000 0.000 3/33600 70.0 5.510 7.829 4.712 0.000 0.000 0.000 3/33600 80.0 4.337 6.316 3.808 0.000 0.000 0.000 3/33600 90.0 3.579 5.313 3.219 0.000 0.000 0.000 3/33600 100.0 3.056 4.604 2.808 0.000 0.000 0.000 3/33600 110.0 2.678 4.076 2.506 0.000 0.000 0.000 3/33600 120.0 2.394 3.668 2.273 0.000 0.000 0.000 3/33600 130.0 2.176 3.342 2.089 0.000 0.000 0.000 3/33600 140.0 2.004 3.077 1.937 0.000 0.000 0.000 3/33600 150.0 1.866 2.855 1.811 0.000 0.000 0.000 3/33600 160.0 1.754 2.667 1.703 0.000 0.000 0.000 3/33600 170.0 1.660 2.505 1.609 0.000 0.000 0.000 3/33600 180.0 1.582 2.365 1.527 0.000 0.000 0.000 3/33600 190.0 1.515 2.241 1.454 0.000 0.000 0.000 3/33600 200.0 1.457 2.131 1.389 0.000 0.000 0.000 3/33600 210.0 1.406 2.032 1.330 0.000 0.000 0.000 3/33600 220.0 1.360 1.943 1.277 0.000 0.000 0.000 3/33600 230.0 1.320 1.863 1.228 0.000 0.000 0.000 3/33600 240.0 1.283 1.789 1.184 0.000 0.000 0.000 3/33600 250.0 1.249 1.722 1.142 0.000 0.000 0.000 3/33600 260.0 1.217 1.660 1.104 0.000 0.000 0.000 3/33600 270.0 1.188 1.603 1.068 0.000 0.000 0.000 3/33600 280.0 1.160 1.549 1.035 0.000 0.000 0.000 3/33600 290.0 1.135 1.500 1.004 0.000 0.000 0.000 3/33600 300.0 1.110 1.453 0.975 0.000 0.000 0.000 3/33600 310.0 1.087 1.410 0.947 0.000 0.000 0.000 3/33600 320.0 1.064 1.369 0.922 0.000 0.000 0.000 3/33600 330.0 1.043 1.331 0.897 0.000 0.000 0.000 3/33600 340.0 1.022 1.294 0.874 0.000 0.000 0.000 3/33600 350.0 1.003 1.260 0.852 0.000 0.000 0.000 3/33600 360.0 0.984 1.228 0.831 0.000 0.000 0.000 3/33600 370.0 0.965 1.197 0.811 0.000 0.000 0.000 3/33600 380.0 0.948 1.168 0.792 0.000 0.000 0.000 3/33600 390.0 0.931 1.140 0.774 0.000 0.000 0.000 3/33600 400.0 0.914 1.114 0.757 0.000 0.000 0.000 3/33600 410.0 0.898 1.088 0.740 0.000 0.000 0.000 3/33600 420.0 0.882 1.064 0.724 0.000 0.000 0.000 3/33600 430.0 0.867 1.041 0.709 0.000 0.000 0.000 3/33600 440.0 0.853 1.019 0.695 0.000 0.000 0.000 3/33600 450.0 0.839 0.998 0.681 0.000 0.000 0.000 3/33600 460.0 0.825 0.978 0.667 0.000 0.000 0.000 3/33600 470.0 0.812 0.958 0.654 0.000 0.000 0.000 3/33600 480.0 0.799 0.939 0.642 0.000 0.000 0.000 3/33600 490.0 0.786 0.921 0.630 0.000 0.000 0.000 3/33600 500.0 0.774 0.904 0.618 0.000 0.000 0.000 3/33600 510.0 0.762 0.887 0.607 0.000 0.000 0.000 3/33600 520.0 0.750 0.871 0.596 0.000 0.000 0.000 3/33600 530.0 0.739 0.856 0.586 0.000 0.000 0.000 3/33600 540.0 0.728 0.841 0.576 0.000 0.000 0.000 3/33600 550.0 0.717 0.826 0.566 0.000 0.000 0.000 3/33600 560.0 0.707 0.812 0.557 0.000 0.000 0.000 3/33600 570.0 0.697 0.799 0.548 0.000 0.000 0.000 3/33600 580.0 0.687 0.786 0.539 0.000 0.000 0.000 3/33600 590.0 0.677 0.773 0.531 0.000 0.000 0.000 3/33600 600.0 0.668 0.761 0.522 0.000 0.000 0.000 3/33600 610.0 0.659 0.749 0.514 0.000 0.000 0.000 3/33600 620.0 0.650 0.737 0.507 0.000 0.000 0.000 3/33600 630.0 0.641 0.726 0.499 0.000 0.000 0.000 3/33600 640.0 0.633 0.715 0.492 0.000 0.000 0.000 3/33600 650.0 0.625 0.705 0.485 0.000 0.000 0.000 3/33600 660.0 0.617 0.695 0.478 0.000 0.000 0.000 3/33600 670.0 0.609 0.685 0.471 0.000 0.000 0.000 3/33600 680.0 0.601 0.675 0.464 0.000 0.000 0.000 3/33600 690.0 0.593 0.666 0.458 0.000 0.000 0.000 3/33600 700.0 0.586 0.656 0.452 0.000 0.000 0.000 3/33600 710.0 0.579 0.647 0.446 0.000 0.000 0.000 3/33600 720.0 0.572 0.639 0.440 0.000 0.000 0.000 3/33600 730.0 0.565 0.630 0.434 0.000 0.000 0.000 3/33600 740.0 0.558 0.622 0.429 0.000 0.000 0.000 3/33600 750.0 0.552 0.614 0.423 0.000 0.000 0.000 3/33600 760.0 0.545 0.606 0.418 0.000 0.000 0.000 3/33600 770.0 0.539 0.599 0.413 0.000 0.000 0.000 3/33600 780.0 0.533 0.591 0.408 0.000 0.000 0.000 3/33600 790.0 0.527 0.584 0.403 0.000 0.000 0.000 3/33600 800.0 0.521 0.577 0.398 0.000 0.000 0.000 3/33600 810.0 0.515 0.570 0.393 0.000 0.000 0.000 3/33600 820.0 0.510 0.563 0.389 0.000 0.000 0.000 3/33600 830.0 0.504 0.557 0.384 0.000 0.000 0.000 3/33600 840.0 0.499 0.550 0.380 0.000 0.000 0.000 3/33600 850.0 0.494 0.544 0.375 0.000 0.000 0.000 3/33600 860.0 0.488 0.538 0.371 0.000 0.000 0.000 3/33600 870.0 0.483 0.532 0.367 0.000 0.000 0.000 3/33600 880.0 0.478 0.526 0.363 0.000 0.000 0.000 3/33600 890.0 0.473 0.520 0.359 0.000 0.000 0.000 3/33600 900.0 0.469 0.515 0.355 0.000 0.000 0.000 3/33600 910.0 0.464 0.509 0.351 0.000 0.000 0.000 3/33600 920.0 0.459 0.504 0.348 0.000 0.000 0.000 3/33600 930.0 0.455 0.499 0.344 0.000 0.000 0.000 3/33600 940.0 0.450 0.493 0.341 0.000 0.000 0.000 3/33600 950.0 0.446 0.488 0.337 0.000 0.000 0.000 3/33600 960.0 0.442 0.483 0.334 0.000 0.000 0.000 3/33600 970.0 0.437 0.478 0.330 0.000 0.000 0.000 3/33600 980.0 0.433 0.474 0.327 0.000 0.000 0.000 3/33600 990.0 0.429 0.469 0.324 0.000 0.000 0.000 3/33600 1000.0 0.425 0.464 0.321 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:32:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|